Basic information
- CAS
329940-31-0- Standard SMILES
Cc1ccc(C(=O)Nc2ccccc2F)cc1[N+](=O)[O-]- InChIKey
RAWBGPPTOXFDKB-UHFFFAOYSA-N- Molecular formula
- C14H11FN2O3
- Average molar mass
- 274.25 g/mol
- Monoisotopic mass
- 274.07537038
Names & identifiers
- Preferred name
- N-(2-fluorophenyl)-4-methyl-3-nitrobenzamide
- IUPAC
- N-(2-fluorophenyl)-4-methyl-3-nitrobenzamide
- English name
- N-(2-Fluorophenyl)-4-methyl-3-nitrobenzamide
- Molecular formula
- C14H11FN2O3
- Molecular weight
- 274.25
Names & synonyms
N-(2-fluorophenyl)-4-methyl-3-nitrobenzamideOprea1_108626Oprea1_809024STK010857AKOS000579297ST010816N-(2-fluorophenyl)(4-methyl-3-nitrophenyl)carboxamideZ28289183Benzamide, N-(2-fluorophenyl)-4-methyl-3-nitro-
Database identifiers
- CAS
329940-31-0- PubChem CID
- 710835
- EC Number
- 169-529-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Boiling point
- 339.9 · 339.900±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.456 · 11.456±0.70(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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