Marvin  11220610562D          

  3  2  0  0  0  0            999 V2000
    0.0000    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
> <ID>
CHEBI:17194

> <NAME>
bromochloromethane

> <DEFINITION>
A halomethane that is chloromethane in which one of the hydrogens has been replaced by a bromine atom.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:3180; CHEBI:13919; CHEBI:22932

> <SYNONYM>
monochloromonobromomethane; Methylene chlorobromide; chloromethyl bromide; chlorobromomethane; bromochloromethane; Bromochloromethane

> <IUPAC_NAME>
bromo(chloro)methane

> <FORMULA>
CH2BrCl

> <MASS>
129.38328

> <MONOISOTOPIC_MASS>
127.90284

> <CHARGE>
0

> <SMILES>
ClCBr

> <INCHI>
InChI=1S/CH2BrCl/c2-1-3/h1H2

> <INCHIKEY>
JPOXNPPZZKNXOV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1730801

> <CAS_REGISTRY_NUMBER>
74-97-5

> <GMELIN_REGISTRY_NUMBER>
25577

> <REAXYS_REGISTRY_NUMBER>
1730801

> <CHEMIDPLUS>
74-97-5

> <KEGG_COMPOUND_ACCESSION>
C02661

> <METACYC_ACCESSION>
CPD-614

> <NIST_CHEMISTRY_WEBBOOK>
74-97-5

> <WIKIPEDIA_ACCESSION>
Bromochloromethane

> <PUBMED_CITATION>
19243639; 22719758; 23638678

$$$$