Basic information
- CAS
35443-86-8- Standard SMILES
O=C(C=C(C(F)(F)F)C(F)(F)F)c1cccc([N+](=O)[O-])c1- InChIKey
QWHZNTNUWRYUOR-UHFFFAOYSA-N- Molecular formula
- C11H5F6NO3
- Average molar mass
- 313.15 g/mol
- Monoisotopic mass
- 313.01736199
Names & identifiers
- Preferred name
- Crotonophenone, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
- IUPAC
- 4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-one
Names & synonyms
NSC 160143BRN 216813335443-86-81-(3-Nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-oneCROTONOPHENONE, 3'-NITRO-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-3'-Nitro-4,4,4-trifluoro-3-trifluoromethyl-2-butenophenone4,4,4-Trifluoro-3'-nitro-3-trifluoromethyl-2-butenophenoneCrotonophenone, 4,4,4-trifluoro-3'-nitro-3-(trifluoromethyl)-DTXSID80188931RefChem:334510DTXCID40111422NSC160143
Show more names
4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-oneNSC-1601433'-Nitro-4,4,4-trifluoro-3-trifluoromethylcrotonophenoneCrotonophenone,4,4-trifluoro-3'-nitro-3-(trifluoromethyl)-2-Buten-1-one, 3'-nitro-4,4,4-trifluoro-3-trifluoromethyl-
Database identifiers
- CAS
35443-86-8- PubChem CID
- 37133
- DTXSID
DTXSID80188931- Nikkaji
- J67.750G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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