{4-[5-(3,5-Dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-phenyl}-oxo-acetic acid methyl ester

HCID 67444292
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Basic information

Standard SMILES
COC(=O)C(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
InChIKey
FJGBGBTVKQTHSG-UHFFFAOYSA-N
Molecular formula
C20H14Cl2F3NO4
Average molar mass
460.2 g/mol
Monoisotopic mass
459.0251978

Names & identifiers

Preferred name
{4-[5-(3,5-Dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-phenyl}-oxo-acetic acid methyl ester
IUPAC
methyl 2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-2-oxoacetate

Names & synonyms

{4-[5-(3,5-Dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-phenyl}-oxo-acetic acid methyl esterSCHEMBL2539531

Database identifiers

PubChem CID
67444292

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
65 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
30

Related reactions

1 records
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Compound notes

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