Marvin  05081313292D          

  8  8  0  0  0  0            999 V2000
    9.0276   -7.0852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3602   -6.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6151   -5.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4401   -5.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6951   -6.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4796   -6.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5756   -6.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0276   -7.9101    0.0000 Br  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:53174

> <NAME>
N-bromosuccinimide

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

> <STAR>
3

> <SYNONYM>
Succinibromimide; Succinbromimide; Succinbromide; NBS; N-Bromosuccinimide; N-Bromosuccimide; 1-bromo-2,5-pyrrolidinedione; 1-Bromo-2,5-pyrrolidine-dione

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

> <FORMULA>
C4H4BrNO2

> <MASS>
177.98400

> <MONOISOTOPIC_MASS>
176.94254

> <CHARGE>
0

> <SMILES>
BrN1C(=O)CCC1=O

> <INCHI>
InChI=1S/C4H4BrNO2/c5-6-3(7)1-2-4(6)8/h1-2H2

> <INCHIKEY>
PCLIMKBDDGJMGD-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
113916

> <CAS_REGISTRY_NUMBER>
128-08-5

> <GMELIN_REGISTRY_NUMBER>
26634

> <REAXYS_REGISTRY_NUMBER>
113916

> <CHEMIDPLUS>
128-08-5

> <METACYC_ACCESSION>
N-BROMOSUCCINIMIDE

> <NIST_CHEMISTRY_WEBBOOK>
128-08-5

> <WIKIPEDIA_ACCESSION>
N-Bromosuccinimide

> <PUBMED_CITATION>
15288278; 15589368; 23935625; 24344777; 24437567

$$$$