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Molecule
2-Bromobenzoic Acid Hydrazide
CAS: 29418-67-5 · C7H7BrN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 29418-67-5
- Molecular Formula
- C7H7BrN2O
- Molecular Mass
- 215.05 g/mol
Identifiers
CAS Registry Number
29418-67-5
SMILES
NN=C(O)c1ccccc1Br
InChI Key
PQNLAYLOCZKPIY-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)
Names and Synonyms
- 2-Bromobenzoic Acid Hydrazide Synonym
- Benzoic acid, 2-bromo-, hydrazide Synonym
- Benzoic acid, o-bromo-, hydrazide Synonym
- o-Bromobenzoic acid hydrazide Synonym
- 2-Bromobenzoic acid hydrazide Synonym
- 2-Bromobenzohydrazide Synonym
- (o-Bromobenzoyl)hydrazine Synonym
- o-Bromobenzoic hydrazide Synonym
- 2-Bromobenzoylhydrazine Synonym
- 2-Bromobenzenecarboxylic acid hydrazide Synonym
- NSC 522536 Synonym
- 2-Bromobenzoyl hydrazide Synonym
- 2-Bromobenzoic hydrazide Synonym
- 2-Bromobenzhydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.05 g/mol | CAS Common Chemistry |
| 215.04999999999995 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C=1C=CC=CC1Br | CAS Common Chemistry |
| InChI | InChI=1S/C7H7BrN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=PQNLAYLOCZKPIY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152 °C | CAS Common Chemistry |
| Name | 2-Bromobenzoic 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 | 1.6274000000000002 | RDKit |
| 1.6274 | RDKit | |
| Molar Refractivity | 47.495200000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 213.974174944 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 215.05 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7BrN2O.
