2-fluoro-N-(4-fluoro-3-nitrophenyl)benzamide
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Basic information
- CAS
349129-37-9- Standard SMILES
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1F- InChIKey
YRRBSAPPKPUKJB-UHFFFAOYSA-N- Molecular formula
- C13H8F2N2O3
- Average molar mass
- 278.21 g/mol
- Monoisotopic mass
- 278.05029845
Names & identifiers
- Preferred name
- 2-fluoro-N-(4-fluoro-3-nitrophenyl)benzamide
- IUPAC
- 2-fluoro-N-(4-fluoro-3-nitrophenyl)benzamide
- English name
- 2-fluoro-N-{4-fluoro-3-nitrophenyl}benzamide
- Molecular formula
- C13H8F2N2O3
- Molecular weight
- 278.21
Names & synonyms
2-fluoro-N-(4-fluoro-3-nitrophenyl)benzamide349129-37-9ZINC28991212-fluoro-N-{4-fluoro-3-nitrophenyl}benzamideZINC02899121Oprea1_054829SCHEMBL1455315YRRBSAPPKPUKJB-UHFFFAOYSA-NMFCD01214112STK099803AKOS000478582ZINC000002899121
Show more names
Benzamide, 2-fluoro-N-(4-fluoro-3-nitrophenyl)-
ST506892162FLUORON(4FLUORO3NITROPHENYL)BENZAMIDEBENZAMIDE2FLUORON(4FLUORO3NITROPHENYL)2-fluoro-N-(4-fluoro-3-nitro-phenyl)-benzamideAE-641/01636034O=C(c1ccccc1F)Nc1ccc(c(c1)(N+)(=O)(O))FSR-01000211806SR-01000211806-1
Database identifiers
- CAS
349129-37-9- PubChem CID
- 2248113
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 324.7 · 324.7±42.0 °C(Predicted)
- Density
- 1.475 · 1.475±0.06 g/cm3(Predicted)
- pka
- 10.71 · 10.71±0.70(Predicted)
Related reactions
2 records
Compound notes
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