Basic information
- Standard SMILES
Cc1cc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-]- InChIKey
BMXXQCYCASUICI-UHFFFAOYSA-N- Molecular formula
- C16H9F6NO3
- Average molar mass
- 377.24 g/mol
Names & identifiers
- Preferred name
- 3',5'-Bis-trifluoromethyl-3-methyl-4-nitrobenzophenone
- IUPAC
- [3,5-bis(trifluoromethyl)phenyl]-(3-methyl-4-nitrophenyl)methanone
Names & synonyms
3',5'-bis-trifluoromethyl-3-methyl-4-nitrobenzophenoneSCHEMBL550878(3,5-bis-Trifluoromethyl-phenyl)-(3-methyl-4-nitro-phenyl)-methanone
Database identifiers
- PubChem CID
- 21940376
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 520
Related reactions
6 records
Compound notes
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