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129644-58-2 | 2-Hydroxy-5-trifluoromethylsulfanyl-benzoic acid
CAS No: 129644-58-2 Catalog No: AG01F2W2 MDL No:
Product Description
Catalog Number:
AG01F2W2
Chemical Name:
2-Hydroxy-5-trifluoromethylsulfanyl-benzoic acid
CAS Number:
129644-58-2
Molecular Formula:
C8H5F3O3S
Molecular Weight:
238.1837
IUPAC Name:
2-hydroxy-5-(trifluoromethylsulfanyl)benzoic acid
InChI:
InChI=1S/C8H5F3O3S/c9-8(10,11)15-4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)
InChI Key:
DJJHXLKWYRDHRZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1O)SC(F)(F)F
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.18g/mol
Monoisotopic Mass:
237.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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