Basic information
- CAS
35554-23-5- Standard SMILES
O=C(C=C(C(F)(F)Cl)C(F)(F)Cl)c1cccc([N+](=O)[O-])c1- InChIKey
DLYZTNGJNWYZHL-UHFFFAOYSA-N- Molecular formula
- C11H5Cl2F4NO3
- Average molar mass
- 346.06 g/mol
- Monoisotopic mass
- 344.9582611
Names & identifiers
- Preferred name
- Crotonophenone, 4-chloro-3-chlorodifluoromethyl-4,4-difluoro-m-nitro-
- IUPAC
- 4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-1-(3-nitrophenyl)but-2-en-1-one
Names & synonyms
BRN 2168136CROTONOPHENONE, 4-CHLORO-3-CHLORODIFLUOROMETHYL-4,4-DIFLUORO-m-NITRO-35554-23-5DTXSID201890434-Chloro-3-chlorodifluoromethyl-4,4-difluoro-m-nitrocrotonophenone4-Chloro-4,4-difluoro-3-(chlorodifluoro)methyl-1-(m-nitrophenyl)-2-buten-1-oneRefChem:334517DTXCID501115344-Chloro-3-[chlorodi(fluoro)methyl]-4,4-difluoro-1-(3-nitrophenyl)but-2-en-1-one
Database identifiers
- CAS
35554-23-5- PubChem CID
- 37174
- DTXSID
DTXSID20189043- Nikkaji
- J67.742F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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