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Molecule
Benzohydroxamic Acid
CAS: 495-18-1 · C7H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 495-18-1
- Molecular Formula
- C7H7NO2
- Molecular Mass
- 137.14 g/mol
Identifiers
CAS Registry Number
495-18-1
SMILES
ON=C(O)c1ccccc1
InChI Key
VDEUYMSGMPQMIK-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)
Names and Synonyms
- Benzohydroxamic Acid Common Name
- Benzamide, N-hydroxy- Synonym
- Benzohydroxamic acid Synonym
- N-Hydroxybenzamide Synonym
- Hydroxylamine, N-benzoyl- Synonym
- Benzhydroxamic acid Synonym
- Benzohydroximic acid Synonym
- Phenylhydroxamic acid Synonym
- Benzoylhydroxylamine Synonym
- N-Benzohydroxamic acid Synonym
- Benzenehydroxamic acid Synonym
- BHAM Synonym
- NSC 147248 Synonym
- NSC 3136 Synonym
- N-Benzoylhydroxylamine Synonym
- BRD 3493 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.14 g/mol | CAS Common Chemistry |
| 137.13799999999998 g/mol | RDKit | |
| 137.138 g/mol | RDKit | |
| Canonical SMILES | O=C(NO)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=VDEUYMSGMPQMIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 128 °C | CAS Common Chemistry |
| Name | Benzohydroxamic acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 1.3804 | RDKit |
| Molar Refractivity | 37.394300000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 137.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 137.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7NO2.
