Marvin  05081313292D          

  8  8  0  0  0  0            999 V2000
   16.8392   -7.9215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1719   -7.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4267   -6.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2517   -6.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5067   -7.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2912   -7.6916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3874   -7.6916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8392   -8.7465    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  2  0  0  0  0
  1  8  1  0  0  0  0
M  END
> <ID>
CHEBI:53203

> <NAME>
N-chlorosuccinimide

> <DEFINITION>
A five-membered cyclic dicarboximide compound having a chloro substituent on the nitrogen atom.

> <STAR>
3

> <SYNONYM>
Succinochlorimide; Succinic N-chloroimide; Succinchlorimide; NCS; N-Chlorosuccinimide; Chlorosuccinimide; 1-Chloro-2,5-pyrrolidinedione; 1-Chloro-2,5-pyrrolidine-dione

> <IUPAC_NAME>
1-chloropyrrolidine-2,5-dione

> <FORMULA>
C4H4ClNO2

> <MASS>
133.53300

> <MONOISOTOPIC_MASS>
132.99306

> <CHARGE>
0

> <SMILES>
ClN1C(=O)CCC1=O

> <INCHI>
InChI=1S/C4H4ClNO2/c5-6-3(7)1-2-4(6)8/h1-2H2

> <INCHIKEY>
JRNVZBWKYDBUCA-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
113915

> <CAS_REGISTRY_NUMBER>
128-09-6

> <GMELIN_REGISTRY_NUMBER>
122816

> <CHEMIDPLUS>
128-09-6

> <NIST_CHEMISTRY_WEBBOOK>
128-09-6

$$$$