Basic information
- CAS
167565-78-8- Standard SMILES
O=C(Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1- InChIKey
GVEHJKZKSVCWIT-UHFFFAOYSA-N- Molecular formula
- C13H9FN2O3
- Average molar mass
- 260.22 g/mol
- Monoisotopic mass
- 260.05972032
Names & identifiers
- Preferred name
- N-(3-Fluorophenyl)-4-nitrobenzamide
- IUPAC
- N-(3-fluorophenyl)-4-nitrobenzamide
- English name
- N-(3-Fluorophenyl)-4-nitrobenzamide, 97%
- Molecular formula
- C13H9FN2O3
- Molecular weight
- 260.22
Names & synonyms
N-(3-fluorophenyl)-4-nitrobenzamide167565-78-8RefChem:361367CBMicro_011750Cambridge id 5246065Oprea1_317583SCHEMBL18941246DTXSID901293336SMSF0005376STK080512AKOS001721214CB15249
Show more names
3'-FLUORO-4-NITROBENZANILIDEBenzamide, N-(3-fluorophenyl)-4-nitro-N-(3-Fluorophenyl)-4-nitrobenzamide, 97%
BIM-0011765.P001DB-188379ST4016415N-(3-fluorophenyl)(4-nitrophenyl)carboxamideAG-205/07014041SR-01000511074SR-01000511074-1
Database identifiers
- CAS
167565-78-8- PubChem CID
- 690177
- DTXSID
DTXSID901293336- Nikkaji
- J881.957B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 333.7 · 333.7±27.0 °C(Predicted)
- Density
- 1.411 · 1.411±0.06 g/cm3(Predicted)
- pka
- 11.37 · 11.37±0.70(Predicted)
Chemistry & industry
Suppliers2 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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