Basic information
- CAS
35443-91-5- Standard SMILES
O=C(C=C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
KAKYPTAPQSETLZ-UHFFFAOYSA-N- Molecular formula
- C11H4ClF6NO3
- Average molar mass
- 347.6 g/mol
- Monoisotopic mass
- 346.9783897
Names & identifiers
- Preferred name
- Crotonophenone, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-
- IUPAC
- 1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
Names & synonyms
35443-91-5NSC 162185BRN 2175800CROTONOPHENONE, 4'-CHLORO-3'-NITRO-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-2-Buten-1-one, 1-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-DTXSID201889351-(4-Chloro-3-nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-oneRefChem:334511DTXCID80111426NSC-162185NSC1621851-(4-chloro-3-nitrophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
Show more names
CQ3Q3347BN1-(4-Chloro-3-nitrophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-2-buten-1-one2-Buten-1-one, 4'-chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-4'-Chloro-3'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)crotonophenone
Database identifiers
- CAS
35443-91-5- PubChem CID
- 37137
- DTXSID
DTXSID20188935- UNII
- CQ3Q3347BN
- Nikkaji
- J67.744B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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