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Molecule
Orange Ot
CAS: 2646-17-5 · C17H14N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2646-17-5
- Molecular Formula
- C17H14N2O
- Molecular Mass
- 262.31 g/mol
Identifiers
CAS Registry Number
2646-17-5
SMILES
Cc1ccccc1N=Nc1c(O)ccc2ccccc12
InChI Key
BQFCCCIRTOLPEF-UHFFFAOYSA-N
InChI
InChI=1S/C17H14N2O/c1-12-6-2-5-9-15(12)18-19-17-14-8-4-3-7-13(14)10-11-16(17)20/h2-11,20H,1H3
Names and Synonyms
- Orange Ot Synonym
- 2-Naphthalenol, 1-[2-(2-methylphenyl)diazenyl]- Synonym
- C.I. Solvent Orange 2 Synonym
- Oil Orange SS Synonym
- 2-Naphthalenol, 1-[(2-methylphenyl)azo]- Synonym
- 1-[2-(2-Methylphenyl)diazenyl]-2-naphthalenol Synonym
- C.I. 12100 Synonym
- Dolkwal Orange SS Synonym
- Fat Orange II Synonym
- Fat Orange RR Synonym
- FD and C Orange No. 2 Synonym
- Hexacol Oil Orange SS Synonym
- Lacquer Orange V Synonym
- Oil Orange OPEL Synonym
- Oil Orange TX Synonym
- A.F. Orange No. 2 Synonym
- Orange SS Synonym
- Organol Orange 2R Synonym
- 1-o-Tolylazo-2-naphthol Synonym
- Orange OT Synonym
- Ext D and C Orange No. 4 Synonym
- 1-o-Tolueneazo-2-naphthol Synonym
- 1-[(2-Methylphenyl)azo]-2-naphthol Synonym
- Oil Orange 204 Synonym
- Japan Orange 403 Synonym
- Orange TX Synonym
- Solvent Orange 2 Synonym
- NSC 58044 Synonym
- T 0553 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.31 g/mol | CAS Common Chemistry |
| 262.31200000000007 g/mol | RDKit | |
| 262.312 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=2C=CC=CC2C1N=NC=3C=CC=CC3C | CAS Common Chemistry |
| InChI | InChI=1S/C17H14N2O/c1-12-6-2-5-9-15(12)18-19-17-14-8-4-3-7-13(14)10-11-16(17)20/h2-11,20H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BQFCCCIRTOLPEF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131 °C | CAS Common Chemistry |
| Name | Orange OT | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 44.95 Ų | RDKit |
| LogP | 5.269220000000004 | RDKit |
| 5.2692 | RDKit | |
| Molar Refractivity | 80.96780000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0588 | RDKit |
| 0.06 | chempirical lib | |
| Exact Mass | 262.110613068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 262.31 g/mol. Edit any field — others recompute live.
