2-(4-Hydroxymethyl-phenylsulfanylmethyl)-benzoic acid 2,2,2-trichloro-ethyl ester

HCID 66865254
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Basic information

Standard SMILES
O=C(OCC(Cl)(Cl)Cl)c1ccccc1CSc1ccc(CO)cc1
InChIKey
NGLUWEXUXKWIQE-UHFFFAOYSA-N
Molecular formula
C17H15Cl3O3S
Average molar mass
405.7 g/mol

Names & identifiers

Preferred name
2-(4-Hydroxymethyl-phenylsulfanylmethyl)-benzoic acid 2,2,2-trichloro-ethyl ester
IUPAC
2,2,2-trichloroethyl 2-[[4-(hydroxymethyl)phenyl]sulfanylmethyl]benzoate

Names & synonyms

SCHEMBL979657NGLUWEXUXKWIQE-UHFFFAOYSA-N2-(4-Hydroxymethyl-phenylsulfanylmethyl)-benzoic acid 2,2,2-trichloro-ethyl ester

Database identifiers

PubChem CID
66865254

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
71.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
24

Related reactions

4 records
New reaction record

Compound notes

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