Basic information
- Standard SMILES
COC(=O)c1cc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)oc1C- InChIKey
NPMIANISLZFEPS-UHFFFAOYSA-N- Molecular formula
- C17H11Cl3F3NO4
- Average molar mass
- 456.6 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-5-[5-(3,4,5-trichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-furan-3-carboxylic acid methyl ester
- IUPAC
- methyl 2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-carboxylate
Names & synonyms
2-methyl-5-[5-(3,4,5-trichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-furan-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 86706652
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 638
Related reactions
1 records
Compound notes
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