22420
 OpenBabel05082101102D

 32 31  0  0  1  0  0  0  0  0999 V2000
    3.0739    1.7320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0739    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0739    3.4641    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.9399    3.9641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5739    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.7195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5739    2.5981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2078    3.9641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2078    4.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0739    5.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9399    4.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5739    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0739    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0739    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5739    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958    5.5467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5973    4.8564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4724    5.9390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6753    5.9390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6709    3.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5505    4.8564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1520    5.5467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6815    3.2087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9913    2.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5488    1.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5488    2.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9662    1.1215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6565    1.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0989    1.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0989    0.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    3.0295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4 11  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
22420

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
212

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBjMAIGAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgIQiCAACAPhgEYAAAJAARAAQAAAAIAAAAAAAAAAAIAIAAAAAAAAAABAAAACEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine;hydrate

>  <PUBCHEM_IUPAC_CAS_NAME>
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphorinan-2-amine;hydrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,<I>N</I>-bis(2-chloroethyl)-2-oxo-1,3,2&lambda;<SUP>5</SUP>-oxazaphosphinan-2-amine;hydrate

>  <PUBCHEM_IUPAC_NAME>
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine;hydrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-bis(2-chloroethyl)-2-oxidanylidene-1,3,2lambda5-oxazaphosphinan-2-amine;hydrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
bis(2-chloroethyl)-(2-keto-1,3,2lambda5-oxazaphosphorinan-2-yl)amine;hydrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2

>  <PUBCHEM_IUPAC_INCHIKEY>
PWOQRKCAHTVFLB-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
278.035385

>  <PUBCHEM_MOLECULAR_FORMULA>
C7H17Cl2N2O3P

>  <PUBCHEM_MOLECULAR_WEIGHT>
279.1

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1CNP(=O)(OC1)N(CCCl)CCCl.O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1CNP(=O)(OC1)N(CCCl)CCCl.O

>  <PUBCHEM_CACTVS_TPSA>
42.6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
278.035385

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
3  7  3

$$$$
