6323
 OpenBabel05082101102D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6323

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
2

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEABAAAAAQAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
bromomethane

>  <PUBCHEM_IUPAC_CAS_NAME>
bromomethane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
bromomethane

>  <PUBCHEM_IUPAC_NAME>
bromomethane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bromanylmethane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
bromomethane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH3Br/c1-2/h1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
GZUXJHMPEANEGY-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1

>  <PUBCHEM_EXACT_MASS>
93.94181

>  <PUBCHEM_MOLECULAR_FORMULA>
CH3Br

>  <PUBCHEM_MOLECULAR_WEIGHT>
94.94

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CBr

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CBr

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
93.94181

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
2

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
