Basic information
- Standard SMILES
COc1ccc(C(F)(F)F)c(C)c1[N+](=O)[O-]- InChIKey
IDLXRRWXXVMWFA-UHFFFAOYSA-N- Molecular formula
- C9H8F3NO3
- Average molar mass
- 235.16 g/mol
Names & identifiers
- Preferred name
- 1-Methoxy-3-methyl-2-nitro-4-(trifluoromethyl)benzene
- IUPAC
- 1-methoxy-3-methyl-2-nitro-4-(trifluoromethyl)benzene
Names & synonyms
1-methoxy-3-methyl-2-nitro-4-(trifluoromethyl)benzeneSCHEMBL2974012
Database identifiers
- PubChem CID
- 59427883
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Related reactions
5 records
Compound notes
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