Basic information
- CAS
71708-64-0- Standard SMILES
CNC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1- InChIKey
BNTASGAOFWOXJI-UHFFFAOYSA-N- Molecular formula
- C14H12N2O4
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.07970686
Names & identifiers
- Preferred name
- N-methyl-3-(4-nitrophenoxy)benzamide
- IUPAC
- N-methyl-3-(4-nitrophenoxy)benzamide
- English name
- 3-(4-Nitrophenoxy)-N-methylbenzamide
- Molecular formula
- C14H12N2O4
- Molecular weight
- 272.26
Names & synonyms
N-methyl-3-(4-nitrophenoxy)benzamide71708-64-03-(4-NITROPHENOXY)-N-METHYLBENZAMIDESCHEMBL177676DTXSID20635176BNTASGAOFWOXJI-UHFFFAOYSA-NMFCD09909463DA-415944-(3-(N-methylcarbamoyl) phenoxy)-1-nitrobenzene4-(3-(N-methylcarbamoyl)phenoxy)-1-nitrobenzene4-(3-(N-methylcarbarnoyl)phenoxy)-1-nitrobenzeneBenzamide, N-methyl-3-(4-nitrophenoxy)-
Database identifiers
- CAS
71708-64-0- PubChem CID
- 23614569
- DTXSID
DTXSID20635176
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 447.7 · 447.7±25.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- 14.5 · 14.50±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
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Related reactions
15 records
Compound notes
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