n-(3-Bromo-5-methylphenyl)acetamide
Basic information
- CAS
5326-49-8- Standard SMILES
CC(=O)Nc1cc(C)cc(Br)c1- InChIKey
IACMUCUAYFBJFF-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO
- Average molar mass
- 228.09 g/mol
- Monoisotopic mass
- 226.99458
Names & identifiers
- Preferred name
- n-(3-Bromo-5-methylphenyl)acetamide
- IUPAC
- N-(3-bromo-5-methylphenyl)acetamide
- English name
- 7-Hydroxy-6-phenyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
- Molecular formula
- C18H15NO2
- Molecular weight
- 277.32
Names & synonyms
n-(3-bromo-5-methylphenyl)acetamide5326-49-857625-49-7NSC306SCHEMBL5690802SCHEMBL30487756DTXSID00276985NSC-3065'-BROMO-M-ACETOTOLUIDIDEMFCD28156797AKOS027492648AURORA KA-3989
Show more names
BUTTPARK 60\40-541H,5H-Benzo[ij]quinolizin-5-one, 2,3-dihydro-7-hydroxy-6-phenyl-7-Hydroxy-6-phenyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
Database identifiers
- CAS
5326-49-8、57625-49-7- PubChem CID
- 219249
- DTXSID
DTXSID00276985
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 220 °C · 220 °C(Solv: ethanol (64-17-5))
- Boiling point
- 460.1 · 460.1±45.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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