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Molecule
Dibenzoylhydrazine
CAS: 787-84-8 · C14H12N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 787-84-8
- Molecular Formula
- C14H12N2O2
- Molecular Mass
- 240.26 g/mol
Identifiers
CAS Registry Number
787-84-8
SMILES
OC(=NN=C(O)c1ccccc1)c1ccccc1
InChI Key
GRRIYLZJLGTQJX-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O2/c17-13(11-7-3-1-4-8-11)15-16-14(18)12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
Names and Synonyms
- Dibenzoylhydrazine Common Name
- Benzoic acid, 2-benzoylhydrazide Synonym
- Hydrazine, 1,2-dibenzoyl- Synonym
- 1,2-Dibenzoylhydrazine Synonym
- Dibenzoylhydrazine Synonym
- N,N′-Dibenzoylhydrazine Synonym
- N2-Benzoylbenzoic acid hydrazide Synonym
- NSC 2762 Synonym
- N′-Benzoylbenzohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.26 g/mol | CAS Common Chemistry |
| 240.262 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dibenzoylhydrazine | CAS Common Chemistry |
| Canonical SMILES | O=C(NNC(=O)C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N2O2/c17-13(11-7-3-1-4-8-11)15-16-14(18)12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18) | CAS Common Chemistry |
| InChI Key | InChIKey=GRRIYLZJLGTQJX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 241-242 °C | CAS Common Chemistry |
| Name | Benzoic acid, 2-benzoylhydrazide | CAS Common Chemistry |
| Dibenzoylhydrazine | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 2.9110000000000014 | RDKit |
| 2.911 | RDKit | |
| Molar Refractivity | 71.21560000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 240.089877624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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60
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 = 240.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12N2O2.
