4-bromo-N-(2-fluorophenyl)benzamide
Basic information
- CAS
325471-58-7- Standard SMILES
O=C(Nc1ccccc1F)c1ccc(Br)cc1- InChIKey
BTBSSDCOFAYXER-UHFFFAOYSA-N- Molecular formula
- C13H9BrFNO
- Average molar mass
- 294.12 g/mol
- Monoisotopic mass
- 292.98515
Names & identifiers
- Preferred name
- 4-bromo-N-(2-fluorophenyl)benzamide
- IUPAC
- 4-bromo-N-(2-fluorophenyl)benzamide
- English name
- 4-bromo-N-(2-fluorophenyl)benzamide
- Molecular formula
- C13H9BrFNO
- Molecular weight
- 294.12
Names & synonyms
4-bromo-N-(2-fluorophenyl)benzamide325471-58-7MFCD00813700Benzamide, N-(2-fluorophenyl)-4-bromo-Cambridge id 5336211F1018-0027SCHEMBL28954065SCHEMBL30240066BTBSSDCOFAYXER-UHFFFAOYSA-NSTK048864AKOS000176334Benzamide, 4-bromo-N-(2-fluorophenyl)-
Show more names
CS-0360319H83950AB00081237-01AO-548/10718005
Database identifiers
- CAS
325471-58-7- PubChem CID
- 533144
- EC Number
- 196-644-6
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 298.1 · 298.1±25.0 °C(Predicted)
- Density
- 1.558 · 1.558±0.06 g/cm3(Predicted)
- pka
- 12.06 · 12.06±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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Related reactions
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Compound notes
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