3-Bromo-N,N-bis(cyanomethyl)benzamide
Basic information
- CAS
333345-90-7- Standard SMILES
N#CCN(CC#N)C(=O)c1cccc(Br)c1- InChIKey
BEJFVULDAYLNNW-UHFFFAOYSA-N- Molecular formula
- C11H8BrN3O
- Average molar mass
- 278.1 g/mol
- Monoisotopic mass
- 276.98507
Names & identifiers
- Preferred name
- 3-Bromo-N,N-bis(cyanomethyl)benzamide
- IUPAC
- 3-bromo-N,N-bis(cyanomethyl)benzamide
- English name
- 3-bromo-N,N-bis(cyanomethyl)benzamide
- Molecular formula
- C11H8BrN3O
- Molecular weight
- 278.10472
Names & synonyms
3-bromo-N,N-bis(cyanomethyl)benzamide333345-90-7RefChem:277702Cambridge id 5658601DTXSID101285351STK085959AKOS000171192ST042924(3-bromophenyl)-N,N-bis(cyanomethyl)carboxamideAK-968/11574009
Database identifiers
- CAS
333345-90-7- PubChem CID
- 669308
- DTXSID
DTXSID101285351
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 333
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Compound notes
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