1,4-Dichloro-2-methyl-3-nitro-5-(trifluoromethyl)benzene
Basic information
- CAS
115571-70-5- Standard SMILES
Cc1c(Cl)cc(C(F)(F)F)c(Cl)c1[N+](=O)[O-]- InChIKey
SQJXEOJJWGBHHX-UHFFFAOYSA-N- Molecular formula
- C8H4Cl2F3NO2
- Average molar mass
- 274.02 g/mol
- Monoisotopic mass
- 272.9571182
Names & identifiers
- Preferred name
- 1,4-Dichloro-2-methyl-3-nitro-5-(trifluoromethyl)benzene
- IUPAC
- 1,4-dichloro-2-methyl-3-nitro-5-(trifluoromethyl)benzene
Names & synonyms
1,4-dichloro-2-methyl-3-nitro-5-(trifluoromethyl)benzeneSQJXEOJJWGBHHX-UHFFFAOYSA-NDTXSID901202822115571-70-5
Database identifiers
- CAS
115571-70-5- PubChem CID
- 85558274
- DTXSID
DTXSID901202822
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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