3-[(5-Bromo-2,4-dimethoxybenzylidene)amino]benzonitrile
Basic information
- CAS
5316-21-2- Standard SMILES
COc1cc(OC)c(C=Nc2cccc(C#N)c2)cc1Br- InChIKey
KGJNOLBPSQCWNB-UHFFFAOYSA-N- Molecular formula
- C16H13BrN2O2
- Average molar mass
- 345.19 g/mol
- Monoisotopic mass
- 344.01604
Names & identifiers
- Preferred name
- 3-[(5-Bromo-2,4-dimethoxybenzylidene)amino]benzonitrile
- IUPAC
- 3-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]benzonitrile
Names & synonyms
5316-21-2AN-329/107340293-[(5-bromo-2,4-dimethoxybenzylidene)amino]benzonitrile3-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]benzonitrileDTXSID80343588KGJNOLBPSQCWNB-VXLYETTFSA-NSTK067889AKOS000483283Benzonitrile, 3-(5-bromo-2,4-dimethoxybenzylidenamino)-3-([(E)-(5-Bromo-2,4-dimethoxyphenyl)methylidene]amino)benzonitrile #3-{(E)-[(5-Bromo-2,4-dimethoxyphenyl)methylidene]amino}benzonitrile3-{[(E)-(5-bromo-2,4-dimethoxyphenyl)methylidene]amino}benzonitrile
Database identifiers
- CAS
5316-21-2- PubChem CID
- 590722
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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