Basic information
- CAS
107813-50-3- Standard SMILES
O=[N+]([O-])c1ccc(OCc2ccc3ccccc3n2)cc1- InChIKey
BRXQVWDVGNCLDV-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.08479224
Names & identifiers
- Preferred name
- 2-[(4-Nitrophenoxy)methyl]quinoline
- IUPAC
- 2-[(4-nitrophenoxy)methyl]quinoline
Names & synonyms
2-[(4-nitrophenoxy)methyl]quinoline107813-50-32-((4-Nitrophenoxy)methyl)quinolineSCHEMBL2567854DTXSID205489542-(4-nitrophenoxymethyl)quinoline2-(p-Nitrophenoxymethyl)quinolineBRXQVWDVGNCLDV-UHFFFAOYSA-N2-(p-Nitrophenoxymethyl) quinolineDB-201955
Database identifiers
- CAS
107813-50-3- PubChem CID
- 13770360
- DTXSID
DTXSID20548954
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
Related reactions
9 records
Compound notes
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