4-Fluoro-2-(4-methylphenoxy)-1-nitrobenzene
Basic information
- CAS
28987-57-7- Standard SMILES
Cc1ccc(Oc2cc(F)ccc2[N+](=O)[O-])cc1- InChIKey
PVGXZQUPSBDLMU-UHFFFAOYSA-N- Molecular formula
- C13H10FNO3
- Average molar mass
- 247.22 g/mol
- Monoisotopic mass
- 247.06447134
Names & identifiers
- Preferred name
- 4-Fluoro-2-(4-methylphenoxy)-1-nitrobenzene
- IUPAC
- 4-fluoro-2-(4-methylphenoxy)-1-nitrobenzene
Names & synonyms
Benzene, 1-nitro-2-(p-methylphenoxy)-4-fluoro-4-fluoro-2-(4-methylphenoxy)-1-nitrobenzenePVGXZQUPSBDLMU-UHFFFAOYSA-NDTXSID1013606465-Fluoro-2-nitrophenyl 4-methylphenyl ether #28987-57-7
Database identifiers
- CAS
28987-57-7- PubChem CID
- 548605
- DTXSID
DTXSID101360646- Nikkaji
- J833.990B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
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Compound notes
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