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102582-93-4 | Acetic acid, 2-[[4-(trifluoromethyl)phenyl]thio]-
CAS No: 102582-93-4 Catalog No: AG0007TV MDL No:MFCD00135062
Product Description
Catalog Number:
AG0007TV
Chemical Name:
Acetic acid, 2-[[4-(trifluoromethyl)phenyl]thio]-
CAS Number:
102582-93-4
Molecular Formula:
C9H7F3O2S
Molecular Weight:
236.2109
MDL Number:
MFCD00135062
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]sulfanylacetic acid
InChI:
InChI=1S/C9H7F3O2S/c10-9(11,12)6-1-3-7(4-2-6)15-5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key:
MBVVWIKWEHKYGF-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ccc(cc1)C(F)(F)F
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.208g/mol
Monoisotopic Mass:
236.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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