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Molecule
[1,1′-Biphenyl]-4-Carboxylic Acid, Hydrazide
CAS: 18622-23-6 · C13H12N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18622-23-6
- Molecular Formula
- C13H12N2O
- Molecular Mass
- 212.25 g/mol
Identifiers
CAS Registry Number
18622-23-6
SMILES
NNC(=O)c1ccc(-c2ccccc2)cc1
InChI Key
QEUAQXSDDNDOTG-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2O/c14-15-13(16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
Names and Synonyms
- [1,1′-Biphenyl]-4-Carboxylic Acid, Hydrazide Systematic Name
- [1,1′-Biphenyl]-4-carboxylic acid, hydrazide Synonym
- 4-Biphenylcarboxylic acid, hydrazide Synonym
- p-Phenylbenzoic acid hydrazide Synonym
- p-Phenylbenzhydrazide Synonym
- 4-Phenylbenzhydrazide Synonym
- 1-Phenylbenzene-4-carbohydrazide Synonym
- [1,1′-Biphenyl]-4-carbohydrazide Synonym
- NSC 234750 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.25 g/mol | CAS Common Chemistry |
| 212.252 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C=1C=CC(=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12N2O/c14-15-13(16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=QEUAQXSDDNDOTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189 °C | CAS Common Chemistry |
| Name | [1,1′-Biphenyl]-4-carboxylic acid, hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 55.12 Ų | RDKit |
| LogP | 1.9570999999999998 | RDKit |
| 1.9571 | RDKit | |
| Molar Refractivity | 63.531600000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 212.094963004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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 = 212.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H12N2O.
