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((4-Bromo-o-tolyl)azo)malononitrile

HCID 22351
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Basic information

CAS
6017-31-8
Standard SMILES
Cc1cc(Br)ccc1N=NC(C#N)C#N
InChIKey
DFZDHXOMGDVBDQ-UHFFFAOYSA-N
Molecular formula
C10H7BrN4
Average molar mass
263.09 g/mol
Monoisotopic mass
261.98541

Names & identifiers

Preferred name
((4-Bromo-o-tolyl)azo)malononitrile
IUPAC
2-[(4-bromo-2-methylphenyl)diazenyl]propanedinitrile

Names & synonyms

((4-Bromo-o-tolyl)azo)malononitrile6017-31-8F 22112-Methyl-4-brom-phenyl-azo-malonitril [German]MALONONITRILE, ((4-BROMO-o-TOLYL)AZO)-2-Methyl-4-brom-phenyl-azo-malonitril

Database identifiers

CAS
6017-31-8
PubChem CID
22351

Properties

Computed structural properties

XLogP
3
Topological polar surface area
72.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
318

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