Marvin  06190620502D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <ID>
CHEBI:36014

> <NAME>
chloromethane

> <DEFINITION>
A one-carbon compound that is methane in which one of the hydrogens is replaced by a chloro group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:33185; CHEBI:25247

> <SYNONYM>
R-40; monochloromethane; methylchloride; Methylchlorid; methyl chloride; MeCl; chloromethane; CH3Cl

> <IUPAC_NAME>
chloromethane

> <FORMULA>
CH3Cl

> <MASS>
50.48722

> <MONOISOTOPIC_MASS>
49.99233

> <CHARGE>
0

> <SMILES>
[H]C([H])([H])Cl

> <INCHI>
InChI=1S/CH3Cl/c1-2/h1H3

> <INCHIKEY>
NEHMKBQYUWJMIP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1696839

> <CAS_REGISTRY_NUMBER>
74-87-3

> <GMELIN_REGISTRY_NUMBER>
24898

> <REAXYS_REGISTRY_NUMBER>
1696839

> <CHEMIDPLUS>
74-87-3

> <KEGG_COMPOUND_ACCESSION>
C19446

> <METACYC_ACCESSION>
CPD-845

> <NIST_CHEMISTRY_WEBBOOK>
74-87-3

> <WIKIPEDIA_ACCESSION>
Chloromethane

> <PUBMED_CITATION>
12738255; 7679475

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