1-Fluoro-4-methoxy-2-[(1E)-2-nitroethenyl]benzene
Basic information
- CAS
1351343-52-6- Standard SMILES
COc1ccc(F)c(/C=C/[N+](=O)[O-])c1- InChIKey
AFMHTHUDSUTNGD-SNAWJCMRSA-N- Molecular formula
- C9H8FNO3
- Average molar mass
- 197.16 g/mol
- Monoisotopic mass
- 197.04882128
Names & identifiers
- Preferred name
- 1-Fluoro-4-methoxy-2-[(1E)-2-nitroethenyl]benzene
- IUPAC
- 1-fluoro-4-methoxy-2-[(E)-2-nitroethenyl]benzene
Names & synonyms
SCHEMBL4596981-Fluoro-4-methoxy-2-[(1E)-2-nitroethenyl]benzeneDTXSID4012314101351343-52-61-fluoro-4-methoxy-2-[(E)-2-nitroethenyl]benzene
Database identifiers
- CAS
1351343-52-6- PubChem CID
- 57656604
- DTXSID
DTXSID401231410
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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