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Molecule
N-Benzoyl-N-Phenylhydroxylamine
CAS: 304-88-1 · C13H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 304-88-1
- Molecular Formula
- C13H11NO2
- Molecular Mass
- 213.24 g/mol
Identifiers
CAS Registry Number
304-88-1
SMILES
O=C(c1ccccc1)N(O)c1ccccc1
InChI Key
YLYIXDZITBMCIW-UHFFFAOYSA-N
InChI
InChI=1S/C13H11NO2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,16H
Names and Synonyms
- N-Benzoyl-N-Phenylhydroxylamine Synonym
- Benzamide, N-hydroxy-N-phenyl- Synonym
- Benzohydroxamic acid, N-phenyl- Synonym
- N-Hydroxy-N-phenylbenzamide Synonym
- N-Phenylbenzohydroxamic acid Synonym
- N-Benzoyl-N-phenylhydroxylamine Synonym
- N-Hydroxybenzanilide Synonym
- BPHA Synonym
- N-Benzoyl-N-phenylhydroxamic acid Synonym
- N-Phenyl N-benzoylhydroxamic acid Synonym
- NSC 42454 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.24 g/mol | CAS Common Chemistry |
| 213.23600000000002 g/mol | RDKit | |
| 213.236 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)N(O)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11NO2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,16H | CAS Common Chemistry |
| InChI Key | InChIKey=YLYIXDZITBMCIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 121-122 °C @ Solvent: Water | CAS Common Chemistry |
| Name | N-Benzoyl-N-phenylhydroxylamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.540000000000006 Ų | RDKit |
| 40.54 Ų | RDKit | |
| 40.31 Ų | chempirical lib | |
| LogP | 2.722600000000001 | RDKit |
| 2.7226 | RDKit | |
| Molar Refractivity | 61.480000000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 213.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 213.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H11NO2.
