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Molecule
2-Chlorobenzoic Acid Hydrazide
CAS: 5814-05-1 · C7H7ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5814-05-1
- Molecular Formula
- C7H7ClN2O
- Molecular Mass
- 170.60 g/mol
Identifiers
CAS Registry Number
5814-05-1
SMILES
NN=C(O)c1ccccc1Cl
InChI Key
KPPNLSKVTKSSTG-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)
Names and Synonyms
- 2-Chlorobenzoic Acid Hydrazide Systematic Name
- Benzoic acid, 2-chloro-, hydrazide Synonym
- Benzoic acid, o-chloro-, hydrazide Synonym
- o-Chlorobenzoic acid hydrazide Synonym
- 2-Chlorobenzoic acid hydrazide Synonym
- o-Chlorobenzoylhydrazine Synonym
- o-Chlorobenzhydrazide Synonym
- (2-Chlorobenzoyl)hydrazine Synonym
- 2-Chlorobenzohydrazide Synonym
- 2-Chlorobenzoic hydrazide Synonym
- o-Chlorobenzoyl hydrazide Synonym
- 2-Chlorobenzhydrazide Synonym
- 2-Chlorobenzoyl hydrazide Synonym
- NSC 522531 Synonym
- 2-Chlorobenzene-1-carbohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.60 g/mol | CAS Common Chemistry |
| 170.59899999999996 g/mol | RDKit | |
| 170.599 g/mol | RDKit | |
| 170.596 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NN)C=1C=CC=CC1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C7H7ClN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=KPPNLSKVTKSSTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-120 °C | CAS Common Chemistry |
| Name | 2-Chlorobenzoic acid hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 1.5183 | RDKit |
| Molar Refractivity | 44.805200000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 170.024690524 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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200 ppm
180
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20
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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 = 170.60 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7ClN2O.
