Marvin  10131016382D          

  6  5  0  0  0  0            999 V2000
   -1.3259   -0.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6114   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1030   -0.5304    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6114    0.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0404   -0.1179    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3259   -1.3554    0.0000 Cl  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  2  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
M  END
> <ID>
CHEBI:34688

> <NAME>
dichloroacetyl chloride

> <DEFINITION>
The acyl chloride obtained by displacement of the hydroxy group of dichloroacetic acid by chloride.

> <STAR>
3

> <SYNONYM>
Dichloroethanoyl chloride; Dichloroacetic acid chloride; Dichloracetyl chloride; Chlorure de dichloracetyle; CHCl2COCl; alpha,alpha-dichloroacetyl chloride; 2,2-Dichloroacetyl chloride

> <IUPAC_NAME>
dichloroacetyl chloride

> <FORMULA>
C2HCl3O

> <MASS>
147.38800

> <MONOISOTOPIC_MASS>
145.90930

> <CHARGE>
0

> <SMILES>
ClC(Cl)C(Cl)=O

> <INCHI>
InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H

> <INCHIKEY>
FBCCMZVIWNDFMO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1209426

> <CAS_REGISTRY_NUMBER>
79-36-7

> <GMELIN_REGISTRY_NUMBER>
430743

> <CHEMIDPLUS>
79-36-7

> <KEGG_COMPOUND_ACCESSION>
C14867

> <NIST_CHEMISTRY_WEBBOOK>
79-36-7

> <PUBMED_CITATION>
9130009

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