Marvin  01270720292D          

  4  3  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 O   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
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <ID>
CHEBI:37580

> <NAME>
acetyl chloride

> <STAR>
3

> <SYNONYM>
ethanoyl chloride; CH3COCl; CH3-CO-Cl; acetic chloride; acetic acid chloride

> <IUPAC_NAME>
acetyl chloride

> <FORMULA>
C2H3ClO

> <MASS>
78.49732

> <MONOISOTOPIC_MASS>
77.98724

> <CHARGE>
0

> <SMILES>
CC(Cl)=O

> <INCHI>
InChI=1S/C2H3ClO/c1-2(3)4/h1H3

> <INCHIKEY>
WETWJCDKMRHUPV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
605303

> <CAS_REGISTRY_NUMBER>
75-36-5

> <GMELIN_REGISTRY_NUMBER>
1611

> <CHEMIDPLUS>
75-36-5

> <NIST_CHEMISTRY_WEBBOOK>
75-36-5

$$$$