3-(2-Methylphenyl)-4-nitrophenol
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Basic information
- CAS
816423-22-0- Standard SMILES
Cc1ccccc1-c1cc(O)ccc1[N+](=O)[O-]- InChIKey
BWMVHCYCUFXAKR-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
Names & identifiers
- Preferred name
- 3-(2-Methylphenyl)-4-nitrophenol
- IUPAC
- 3-(2-methylphenyl)-4-nitrophenol
- English name
- [1,1-Biphenyl]-3-ol,2-methyl-6-nitro-(9CI)
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23
Names & synonyms
[1,1'-Biphenyl]-3-ol, 2'-methyl-6-nitro-[1,1-Biphenyl]-3-ol,2-methyl-6-nitro-(9CI)
Database identifiers
- CAS
816423-22-0- Nikkaji
- J2.252.726F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 401 · 401.0±40.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- pka
- 7.01 · 7.01±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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