Basic information
- CAS
125290-77-9- Standard SMILES
Cc1c(F)c(F)c(Cl)c(F)c1C1=NC(C)(C)CO1- InChIKey
FFDJSUNVABFVFK-UHFFFAOYSA-N- Molecular formula
- C12H11ClF3NO
- Average molar mass
- 277.67 g/mol
- Monoisotopic mass
- 277.0481262
Names & identifiers
- Preferred name
- 2-(3-Chloro-2,4,5-trifluoro-6-methylphenyl)-4,5-dihydro-4,4-dimethyloxazole
- IUPAC
- 2-(3-chloro-2,4,5-trifluoro-6-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
Names & synonyms
SCHEMBL9084909DTXSID9011440162-(3-Chloro-2,4,5-trifluoro-6-methylphenyl)-4,5-dihydro-4,4-dimethyloxazole125290-77-92-(3-Chloro-2,4,5-trifluoro-6-methylphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
Database identifiers
- CAS
125290-77-9- PubChem CID
- 15075813
- DTXSID
DTXSID901144016
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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