Basic information
- CAS
883790-22-5- Standard SMILES
COc1ccc(C(=O)Nc2cccc(Br)c2C)cc1- InChIKey
PCVQMZYRQUJTLQ-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO2
- Average molar mass
- 320.18 g/mol
- Monoisotopic mass
- 319.02079
Names & identifiers
- Preferred name
- N-(3-bromo-2-methylphenyl)-4-methoxybenzamide
- IUPAC
- N-(3-bromo-2-methylphenyl)-4-methoxybenzamide
- English name
- N-(3-Bromo-2-methylphenyl)-4-methoxybenzamide
- Molecular formula
- C15H14BrNO2
- Molecular weight
- 320.18
Names & synonyms
N-(3-bromo-2-methylphenyl)-4-methoxybenzamideAKOS024341581Benzamide, N-(3-bromo-2-methylphenyl)-4-methoxy-
Database identifiers
- CAS
883790-22-5- PubChem CID
- 4615411
- EC Number
- 146-305-3
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 352.576 · 352.576±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.425 · 1.425±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.975 · 12.975±0.70(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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