Basic information
- CAS
2946-72-7- Standard SMILES
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Br- InChIKey
CICQVRULEXWWCJ-UHFFFAOYSA-N- Molecular formula
- C14H9BrF3NO
- Average molar mass
- 344.13 g/mol
- Monoisotopic mass
- 342.98196
Names & identifiers
- Preferred name
- 2-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
- IUPAC
- 2-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
- English name
- 2-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
- Molecular formula
- C14H9BrF3NO
- Molecular weight
- 344.13
Names & synonyms
2-bromo-N-[3-(trifluoromethyl)phenyl]benzamide2946-72-7SCHEMBL5665824DTXSID201247132STK222201AKOS000179310DB-409359ST50909607SR-01000550515SR-01000550515-1(2-bromophenyl)-N-[3-(trifluoromethyl)phenyl]carboxamideBenzamide, 2-bromo-N-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
2946-72-7- PubChem CID
- 771663
- DTXSID
DTXSID201247132
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 121 · 121-122 °C
- Boiling point
- 311.4 · 311.4±42.0 °C(Predicted)
- Density
- 1.578 · 1.578±0.06 g/cm3(Predicted)
- pka
- 12.21 · 12.21±0.70(Predicted)
Chemistry & industry
Suppliers1 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
1 records
Compound notes
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