3,5-Dibromo-4-methylbenzonitrile
Basic information
- CAS
116596-20-4- Standard SMILES
Cc1c(Br)cc(C#N)cc1Br- InChIKey
WWFLOIYSUOKKBN-UHFFFAOYSA-N- Molecular formula
- C8H5Br2N
- Average molar mass
- 274.94 g/mol
Names & identifiers
- Preferred name
- 3,5-Dibromo-4-methylbenzonitrile
- IUPAC
- 3,5-dibromo-4-methylbenzonitrile
- English name
- 3,5-Dibromo-4-methylbenzonitrile
- Molecular formula
- C8H5Br2N
- Molecular weight
- 274.94
Names & synonyms
3,5-DIBROMO-4-METHYLBENZONITRILE59596-31-53,5-Dibromo-4-methyl-benzonitrileMFCD00672995116596-20-4Benzonitrile, 2,6-dibromo-4-methyl-SCHEMBL24129430AKOS005148386F72413Benzonitrile, 3,5-dibromo-4-methyl-
Database identifiers
- CAS
116596-20-4
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Chemistry & industry
Upstream & downstream products
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Compound notes
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