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Molecule
3-Chlorobenzohydrazide
CAS: 1673-47-8 · C7H7ClN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1673-47-8
- Molecular Formula
- C7H7ClN2O
- Molecular Mass
- 170.60 g/mol
Identifiers
CAS Registry Number
1673-47-8
SMILES
NN=C(O)c1cccc(Cl)c1
InChI Key
PHRDZSRVSVNQRN-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
Names and Synonyms
- 3-Chlorobenzohydrazide Systematic Name
- Benzoic acid, 3-chloro-, hydrazide Synonym
- Benzoic acid, m-chloro-, hydrazide Synonym
- m-Chlorobenzoic acid hydrazide Synonym
- 3-Chlorobenzhydrazide Synonym
- (m-Chlorobenzoyl)hydrazine Synonym
- 3-Chlorobenzoyl hydrazide Synonym
- (3-Chlorobenzoyl)hydrazine Synonym
- m-Chlorobenzoic hydrazide Synonym
- 3-Chlorobenzoic acid hydrazide Synonym
- 3-Chlorobenzohydrazide Synonym
- 3-Chlorobenzenecarboxylic acid hydrazide Synonym
- m-Chlorobenzoyl hydrazide Synonym
- 3-Chlorobenzoic hydrazide Synonym
- 3-Chlorobenzohydroazide Synonym
- 3-Chlorobenzene-1-carbohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.60 g/mol | CAS Common Chemistry |
| 170.599 g/mol | RDKit | |
| 170.596 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NN)C=1C=CC=C(Cl)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7ClN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=PHRDZSRVSVNQRN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155-156 °C | CAS Common Chemistry |
| Name | 3-Chlorobenzohydrazide | 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
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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.
