3-Nitro-2-phenylquinoline
Basic information
- CAS
5443-79-8- Standard SMILES
O=[N+]([O-])c1cc2ccccc2nc1-c1ccccc1- InChIKey
VGUWSOYCWQHGOH-UHFFFAOYSA-N- Molecular formula
- C15H10N2O2
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.07422757
Names & identifiers
- Preferred name
- 3-Nitro-2-phenylquinoline
- IUPAC
- 3-nitro-2-phenylquinoline
- English name
- 3-nitro-2-phenylquinoline
- Molecular formula
- C15H10N2O2
- Molecular weight
- 250.25
Names & synonyms
3-nitro-2-phenylquinoline5443-79-8MLS002638708NSC19850nitro phenylquinolineSCHEMBL6312816CHEMBL1866616DTXSID40281038HMS3078G19NSC-19850DA-05033SMR001548178
Show more names
2-phenyl-3-nitroquinolineQuinoline, 3-nitro-2-phenyl-
Database identifiers
- CAS
5443-79-8- PubChem CID
- 227789
- DTXSID
DTXSID40281038- ChEMBL
CHEMBL1866616- Nikkaji
- J2.026.889A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 409.1 · 409.1±30.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- pka
- 0.67 · 0.67±0.11(Predicted)
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Related reactions
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Compound notes
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