N-(2-Bromoethyl)-p-phenylazobenzamide
Basic information
- CAS
100243-23-0- Standard SMILES
O=C(NCCBr)c1ccc(N=Nc2ccccc2)cc1- InChIKey
ZBCKKGZHAGVDDR-UHFFFAOYSA-N- Molecular formula
- C15H14BrN3O
- Average molar mass
- 332.19 g/mol
- Monoisotopic mass
- 331.03202
Names & identifiers
- Preferred name
- N-(2-Bromoethyl)-p-phenylazobenzamide
- IUPAC
- N-(2-bromoethyl)-4-phenyldiazenylbenzamide
- English name
- N-(2-Bromoethyl)-p-(phenylazo)benzamide
- Molecular formula
- C15H14BrN3O
- Molecular weight
- 332.2
Names & synonyms
100243-23-0N-(2-Bromoethyl)-p-phenylazobenzamideN-(2-bromoethyl)-4-phenyldiazenylbenzamideN-(2-Bromoethyl)-p-(phenylazo)benzamideN-(2-Bromoethyl)azobenzene-4-carboxamideBENZAMIDE, N-(2-BROMOETHYL)-p-(PHENYLAZO)-NSC160079NSC-160079Benzamide, N-(2-bromoethyl)-4-(2-phenyldiazenyl)-
Database identifiers
- CAS
100243-23-0- PubChem CID
- 57642
- Nikkaji
- J149.039G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Boiling point
- 502.6 · 502.6±35.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 13.12 · 13.12±0.46(Predicted)
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Compound notes
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