Basic information
- CAS
10385-00-9- Standard SMILES
CN(C(=O)CF)c1ccc(Br)cc1- InChIKey
FATGIAYGVSQXJB-UHFFFAOYSA-N- Molecular formula
- C9H9BrFNO
- Average molar mass
- 246.08 g/mol
- Monoisotopic mass
- 244.98515
Names & identifiers
- Preferred name
- Acetanilide, 4'-bromo-2-fluoro-N-methyl-
- IUPAC
- N-(4-bromophenyl)-2-fluoro-N-methylacetamide
- English name
- 4'-Bromo-2-fluoro-N-methylacetanilide
- Molecular formula
- C9H9BrFNO
- Molecular weight
- 246.08
Names & synonyms
10385-00-94'-Bromo-2-fluoro-N-methylacetanilideBRN 2102042ACETANILIDE, 4'-BROMO-2-FLUORO-N-METHYL-DTXSID20146111RefChem:315808DTXCID0068602N-(4-bromophenyl)-2-fluoro-N-methylacetamide4/'-Bromo-2-fluoro-N-methylacetanilideAcetamide, N-(4-bromophenyl)-2-fluoro-N-methyl-
Database identifiers
- CAS
10385-00-9- PubChem CID
- 25218
- DTXSID
DTXSID20146111- Nikkaji
- J79.116D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 123 · 123-124 °C
- Boiling point
- 308.6 · 308.6±27.0 °C(Predicted)
- Density
- 1.512 · 1.512±0.06 g/cm3(Predicted)
- pka
- -0.52 · -0.52±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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