2-(2-Bromophenyl)thio-3-(4-methoxyphenyl)propanoic acid

HCID 22736619
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Basic information

Standard SMILES
COc1ccc(CC(Sc2ccccc2Br)C(=O)O)cc1
InChIKey
IAEVOYLYFDXTGB-UHFFFAOYSA-N
Molecular formula
C16H15BrO3S
Average molar mass
367.3 g/mol

Names & identifiers

Preferred name
2-(2-Bromophenyl)thio-3-(4-methoxyphenyl)propanoic acid
IUPAC
2-(2-bromophenyl)sulfanyl-3-(4-methoxyphenyl)propanoic acid

Names & synonyms

SCHEMBL5747107IAEVOYLYFDXTGB-UHFFFAOYSA-N2-(2-bromophenyl)thio-3-(4-methoxyphenyl)propanoic acid

Database identifiers

PubChem CID
22736619

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
71.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
21

Related reactions

1 records
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Compound notes

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