Completing data — usually done within a minute
Basic information
- CAS
158863-10-6- Standard SMILES
Cc1ccc(Oc2ccc(F)cc2)cc1[N+](=O)[O-]- InChIKey
XBOFAFRVJRTNDS-UHFFFAOYSA-N- Molecular formula
- C13H10FNO3
- Average molar mass
- 247.22 g/mol
- Monoisotopic mass
- 247.0644714
Names & identifiers
- Preferred name
- 4-(4-Fluorophenoxy)-1-methyl-2-nitrobenzene
- IUPAC
- 4-(4-fluorophenoxy)-1-methyl-2-nitrobenzene
Names & synonyms
4-(4-fluorophenoxy)-1-methyl-2-nitrobenzene158863-10-62-Nitro-4-(4-fluorophenoxy)tolueneBenzene, 4-(4-fluorophenoxy)-1-methyl-2-nitro-Oprea1_098956SCHEMBL8867069DTXSID10393430XBOFAFRVJRTNDS-UHFFFAOYSA-NSTK3765272-nitro-4-(4-fluorophenoxy)-tolueneAKOS005447774ST51059667
Database identifiers
- CAS
158863-10-6- PubChem CID
- 3537673
- DTXSID
DTXSID10393430
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- 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
Related reactions
4 records
Compound notes
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