Benzoic acid, 3-fluoro-4-(methylthio)-2-(trifluoromethyl)-

HCID 53985877
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Basic information

Standard SMILES
CSc1ccc(C(=O)O)c(C(F)(F)F)c1F
InChIKey
KBLMKBYHHPNGQL-UHFFFAOYSA-N
Molecular formula
C9H6F4O2S
Average molar mass
254.2 g/mol

Names & identifiers

Preferred name
Benzoic acid, 3-fluoro-4-(methylthio)-2-(trifluoromethyl)-
IUPAC
3-fluoro-4-methylsulfanyl-2-(trifluoromethyl)benzoic acid

Names & synonyms

Benzoic acid, 3-fluoro-4-(methylthio)-2-(trifluoromethyl)-SCHEMBL22341363-fluoro-4-(methylsulfanyl)-2-(trifluoromethyl)benzoic acid

Database identifiers

PubChem CID
53985877

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
62.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
16

Related reactions

2 records
New reaction record

Compound notes

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