Basic information
- CAS
346695-07-6- Standard SMILES
N#CCN(CC#N)C(=O)c1ccccc1Br- InChIKey
ZCCQUNFUCDKECV-UHFFFAOYSA-N- Molecular formula
- C11H8BrN3O
- Average molar mass
- 278.1 g/mol
Names & identifiers
- Preferred name
- 2-bromo-N,N-bis(cyanomethyl)benzamide
- IUPAC
- 2-bromo-N,N-bis(cyanomethyl)benzamide
- English name
- 2-bromo-N,N-bis(cyanomethyl)benzamide
- Molecular formula
- C11H8BrN3O
- Molecular weight
- 278.1
Names & synonyms
2-bromo-N,N-bis(cyanomethyl)benzamideSTK025829AKOS000172619ST50486194(2-bromophenyl)-N,N-bis(cyanomethyl)carboxamideSR-01000411224SR-01000411224-1F3099-7543Benzamide, 2-bromo-N,N-bis(cyanomethyl)-
Database identifiers
- CAS
346695-07-6
Properties
Computed structural properties
- XLogP
- 1.7
- 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
Physicochemical properties
- Boiling point
- 494.6 · 494.6±40.0 °C(Predicted)
- Density
- 1.539 · 1.539±0.06 g/cm3(Predicted)
- pka
- -2.68 · -2.68±0.70(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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