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Molecule
2-Carboxyphenylhydrazine Hydrochloride
CAS: 52356-01-1 · C7H9ClN2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 52356-01-1
- Molecular Formula
- C7H9ClN2O2
- Molecular Mass
- 188.61 g/mol
Identifiers
CAS Registry Number
52356-01-1
SMILES
Cl.NNc1ccccc1C(=O)O
InChI Key
ZGNNOFKURIXXRF-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2.ClH/c8-9-6-4-2-1-3-5(6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
Names and Synonyms
- 2-Carboxyphenylhydrazine Hydrochloride Systematic Name
- Benzoic acid, 2-hydrazinyl-, hydrochloride (1:1) Synonym
- Benzoic acid, 2-hydrazino-, monohydrochloride Synonym
- o-Hydrazinobenzoic acid hydrochloride Synonym
- o-Hydrazinobenzoic acid monohydrochloride Synonym
- 2-Carboxyphenylhydrazine hydrochloride Synonym
- 2-Hydrazinobenzoic acid monohydrochloride Synonym
- 2-Hydrazinylbenzoic acid hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.61 g/mol | CAS Common Chemistry |
| 188.61399999999998 g/mol | RDKit | |
| 188.614 g/mol | RDKit | |
| 188.611 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(O)C=1C=CC=CC1NN | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O2.ClH/c8-9-6-4-2-1-3-5(6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZGNNOFKURIXXRF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189-190 °C | CAS Common Chemistry |
| Name | 2-Carboxyphenylhydrazine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 75.35 Ų | RDKit |
| LogP | 1.0922 | RDKit |
| Molar Refractivity | 48.4594 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 188.035255208 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
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MW = 188.61 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9ClN2O2.
