1,4-Dimethyl-2-nitro-3-fluorobenzene
Basic information
- CAS
52488-30-9- Standard SMILES
Cc1ccc(C)c([N+](=O)[O-])c1F- InChIKey
SDWKDKGKCOJUQH-UHFFFAOYSA-N- Molecular formula
- C8H8FNO2
- Average molar mass
- 169.15 g/mol
- Monoisotopic mass
- 169.05390666
Names & identifiers
- Preferred name
- 1,4-Dimethyl-2-nitro-3-fluorobenzene
- IUPAC
- 2-fluoro-1,4-dimethyl-3-nitrobenzene
Names & synonyms
1,4-Dimethyl-2-nitro-3-fluorobenzene52488-30-92-fluoro-1,4-dimethyl-3-nitrobenzene1,4-Dimethyl-2-fluoro-3-nitrobenzeneSCHEMBL10686251DTXSID001281568Benzene, 2-fluoro-1,4-dimethyl-3-nitro-
Database identifiers
- CAS
52488-30-9- PubChem CID
- 20154050
- DTXSID
DTXSID001281568
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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