Basic information
- CAS
349085-90-1- Standard SMILES
CC(C)CCNC(=O)c1ccc(Br)cc1- InChIKey
FFFSIGVGVPPNKQ-UHFFFAOYSA-N- Molecular formula
- C12H16BrNO
- Average molar mass
- 270.17 g/mol
- Monoisotopic mass
- 269.04153
Names & identifiers
- Preferred name
- 4-bromo-N-(3-methylbutyl)benzamide
- IUPAC
- 4-bromo-N-(3-methylbutyl)benzamide
- English name
- 4-bromo-N-(3-methylbutyl)benzamide
- Molecular formula
- C12H16BrNO
- Molecular weight
- 270.17
Names & synonyms
4-bromo-N-(3-methylbutyl)benzamide4-bromo-N-isopentylbenzamideSCHEMBL18193848STK054022AKOS000171360349085-90-1ST043516(4-bromophenyl)-N-(3-methylbutyl)carboxamideAN-652/14925646SR-01000228288SR-01000228288-1Benzamide, 4-bromo-N-(3-methylbutyl)-
Database identifiers
- CAS
349085-90-1- PubChem CID
- 669759
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 370.3 · 370.3±25.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 14.57 · 14.57±0.46(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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