Molecule ID: 61948

IUPAC Name: 2-bromo-2-(bromomethyl)pentanedinitrile

Description: The molecule is an organobromine compound that consists of pentanedinitrile bearing bromo and bromomethyl substituents at position 2. It has a role as an allergen and a sensitiser. It is an organobromine compound and an aliphatic nitrile.

SMILES: N#CCCC(Br)(C#N)CBr

SELFIES: [N][#C][C][C][C][Branch1][C][Br][Branch1][Ring1][C][#N][C][Br]

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

Molecular Properties:
- Polar Surface Area: 47.6 Ų
- LogP: 1.4