N-(2-Bromo-4-methylphenyl)benzamide
Basic information
- CAS
77791-07-2- Standard SMILES
Cc1ccc(NC(=O)c2ccccc2)c(Br)c1- InChIKey
SGEVKYATLFKDRR-UHFFFAOYSA-N- Molecular formula
- C14H12BrNO
- Average molar mass
- 290.15 g/mol
- Monoisotopic mass
- 289.01023
Names & identifiers
- Preferred name
- N-(2-Bromo-4-methylphenyl)benzamide
- IUPAC
- N-(2-bromo-4-methylphenyl)benzamide
- English name
- Benzamide, N-(2-bromo-4-methylphenyl)-
- Molecular formula
- C14H12BrNO
- Molecular weight
- 290.16
Names & synonyms
N-(2-Bromo-4-methylphenyl)benzamide77791-07-2DTXSID30357418RefChem:360506DTXCID00308477Benzamide, N-(2-bromo-4-methylphenyl)-SCHEMBL29175040AKOS000190872A1-04935
Database identifiers
- CAS
77791-07-2- PubChem CID
- 853352
- DTXSID
DTXSID30357418- Nikkaji
- J1.642.818C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 147 · 147-148 °C
- Boiling point
- 308.9 · 308.9±35.0 °C(Predicted)
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- pka
- 12.59 · 12.59±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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