Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-
Basic information
- CAS
35443-89-1- Standard SMILES
O=C(C=C(C(F)(F)F)C(F)(F)F)c1ccccc1[N+](=O)[O-]- InChIKey
NLAMONODKVNOSH-UHFFFAOYSA-N- Molecular formula
- C11H5F6NO3
- Average molar mass
- 313.15 g/mol
- Monoisotopic mass
- 313.01736199
Names & identifiers
- Preferred name
- Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-
- IUPAC
- 4,4,4-trifluoro-1-(2-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-one
Names & synonyms
35443-89-1NSC 162090BRN 2168088CROTONOPHENONE, 2'-NITRO-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-2'-Nitro-4,4,4-trifluoro-3-trifluoromethylcrotonophenoneDTXSID001889331-(o-Nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-oneRefChem:334507DTXCID60111424NSC-162090NSC1620904,4,4-trifluoro-1-(2-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-one
Show more names
SD43W8WKB72'-Nitro-4,4,4-trifluoro-3-(trifluoromethyl)-crotonophenone2-Buten-1-one, 4,4,4-trifluoro-1-(2-nitrophenyl)-3-(trifluoromethyl)-4,4,4-Trifluoro-1-(2-nitrophenyl)-3-(trifluoromethyl)-2-buten-1-one4,4,4-Trifluoro-1-(o-nitrophenyl)-3-(trifluoromethyl)-2-buten-1-one
Database identifiers
- CAS
35443-89-1- PubChem CID
- 37135
- DTXSID
DTXSID00188933- UNII
- SD43W8WKB7
- Nikkaji
- J67.749C
Properties
Computed structural properties
- XLogP
- 3.8
- 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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