Basic information
- CAS
70786-64-0- Standard SMILES
Cc1cc(-c2ccccc2C)ccc1N=O- InChIKey
CKEUKHXGPKXTTF-UHFFFAOYSA-N- Molecular formula
- C14H13NO
- Average molar mass
- 211.26 g/mol
- Monoisotopic mass
- 211.09971404
Names & identifiers
- Preferred name
- 3,2'-Dimethyl-4-nitrosobiphenyl
- IUPAC
- 2-methyl-4-(2-methylphenyl)-1-nitrosobenzene
- English name
- 3,2'-dimethyl-4-nitrosobiphenyl
- Molecular formula
- C14H13NO
- Molecular weight
- 0
Names & synonyms
3,2'-Dimethyl-4-nitrosobiphenyl70786-64-0SPB0H7W2T7BIPHENYL, 3,2'-DIMETHYL-4-NITROSO-J70.031BDTXSID20221038DMNOBPRefChem:90603DTXCID20143529CCRIS 262UNII-SPB0H7W2T7BRN 2367673
Show more names
Reaxys ID: 2367673
2,3'-dimethyl-4'-nitroso-1,1'-biphenyl2-methyl-4-(2-methylphenyl)-1-nitrosobenzene2',3-Dimethyl-4-nitrosobiphenyl2,3'-DIMETHYL-4'-NITROSOBIPHENYL1,1'-Biphenyl, 2',3-dimethyl-4-nitroso-1,1'-BIPHENYL, 2,3'-DIMETHYL-4'-NITROSO-Q27289326
Database identifiers
- CAS
70786-64-0- PubChem CID
- 51168
- DTXSID
DTXSID20221038- UNII
- SPB0H7W2T7
- Nikkaji
- J70.031B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 350.95 °C · 350.95°C (rough estimate)
- Density
- 1.0694 · 1.0694 (rough estimate)
- refractive index
- 1.578 · 1.5780 (estimate)
- FDA UNII
- 0 H7W2T7 · SPB0H7W2T7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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