N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzamide
Basic information
- CAS
329940-16-1- Standard SMILES
Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-]- InChIKey
QWNRYKYWFZJURX-UHFFFAOYSA-N- Molecular formula
- C14H10F2N2O3
- Average molar mass
- 292.24 g/mol
- Monoisotopic mass
- 292.06594851
Names & identifiers
- Preferred name
- N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzamide
- IUPAC
- N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzamide
- English name
- N-(3,4-difluorophenyl)-3-nitro-4-methylbenzamide
- Molecular formula
- C14H10F2N2O3
- Molecular weight
- 292.24
Names & synonyms
N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzamideOprea1_733821Oprea1_769890STK005562AKOS003260356CCG-340280ST010808AG-690/11635153N-(3,4-difluorophenyl)-3-nitro-4-methylbenzamideN-(3,4-difluorophenyl)(4-methyl-3-nitrophenyl)carboxamideBenzamide, N-(3,4-difluorophenyl)-4-methyl-3-nitro-
Database identifiers
- CAS
329940-16-1- PubChem CID
- 710820
- EC Number
- 169-389-3
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Boiling point
- 341.2 · 341.2±42.0 °C(Predicted)
- Density
- 1.426 · 1.426±0.06 g/cm3(Predicted)
- pka
- 10.73 · 10.73±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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