Marvin  08301113562D          

 10  9  0  0  0  0            999 V2000
   13.9692   -3.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6829   -4.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3965   -3.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1101   -4.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8238   -3.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2556   -3.3977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5374   -3.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0995   -4.7946    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   15.2662   -4.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0527   -5.5915    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  3  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  7  5  3  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <ID>
CHEBI:62823

> <NAME>
2-bromo-2-(bromomethyl)pentanedinitrile

> <DEFINITION>
An organobromine compound that consists of pentanedinitrile bearing bromo and bromomethyl substituents at position 2.

> <STAR>
3

> <SYNONYM>
Methyldibromoglutaronitrile; Methyldibromo glutaronitrile; MDGN; Bromothalonil; 2-Bromo-2-bromomethylglutaronitrile; 2-Bromo-2-(bromomethyl)glutaronitrile; 1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile; 1,2-Dibromo-2,4-dicyanobutane

> <IUPAC_NAME>
2-bromo-2-(bromomethyl)pentanedinitrile

> <FORMULA>
C6H6Br2N2

> <MASS>
265.93300

> <MONOISOTOPIC_MASS>
263.88977

> <CHARGE>
0

> <SMILES>
BrCC(Br)(CCC#N)C#N

> <INCHI>
InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2

> <INCHIKEY>
DHVLDKHFGIVEIP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
35691-65-7

> <REAXYS_REGISTRY_NUMBER>
1930600

> <CHEMIDPLUS>
35691-65-7

> <WIKIPEDIA_ACCESSION>
Methyldibromo_glutaronitrile

> <PUBMED_CITATION>
19321115; 19426617; 19457305; 19470301; 19883218; 20233547; 20940038; 21144344; 21317857; 21325848; 21332463; 21569742; 21616561; 29079364

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