2-[(4-Chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-malonic Acid Dimethyl Ester

HCID 58445323
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Basic information

Standard SMILES
COC(=O)C(C(=O)OC)C(Sc1ccc(Cl)cc1)c1c(F)ccc(F)c1F
InChIKey
LCOIUVMZZUZMMF-UHFFFAOYSA-N
Molecular formula
C18H14ClF3O4S
Average molar mass
418.8 g/mol

Names & identifiers

Preferred name
2-[(4-Chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-malonic Acid Dimethyl Ester
IUPAC
dimethyl 2-[(4-chlorophenyl)sulfanyl-(2,3,6-trifluorophenyl)methyl]propanedioate

Names & synonyms

SCHEMBL1363017LCOIUVMZZUZMMF-UHFFFAOYSA-N2-[(4-Chloro-phenylsulfanyl)-(2,3,6-trifluoro-phenyl)-methyl]-malonic Acid Dimethyl Ester

Database identifiers

PubChem CID
58445323

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
77.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
27

Related reactions

7 records
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Compound notes

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