Basic information
- CAS
100700-41-2- Standard SMILES
O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
IMEGKGCTJXHJFZ-UHFFFAOYSA-N- Molecular formula
- C11H6ClF6NO4
- Average molar mass
- 365.61 g/mol
- Monoisotopic mass
- 364.9889543
Names & identifiers
- Preferred name
- Butyrophenone, 4'-chloro-3-hydroxy-3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
- IUPAC
- 1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one
Names & synonyms
BUTYROPHENONE, 4'-CHLORO-3-HYDROXY-3'-NITRO-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-100700-41-2DTXSID501434711-(4-Chloro-3-nitrophenyl)-3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-1-butanone1-Butanone, 1-(4-chloro-3-nitrophenyl)-3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-RefChem:331392DTXCID7065962NSC1621561-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-oneNSC-1621561-Butanone, 1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-
Database identifiers
- CAS
100700-41-2- PubChem CID
- 57993
- DTXSID
DTXSID50143471- Nikkaji
- J67.440K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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