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102582-93-4,MFCD00236351
Catalog No.:AA0007R3
102582-93-4 | 2-(4-(Trifluoromethyl)phenylthio)acetic acid
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1g
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2 weeks  
$196.00   $137.00
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5g
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$500.00   $350.00
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Technical Information
Catalog Number:
AA0007R3
Chemical Name:
2-(4-(Trifluoromethyl)phenylthio)acetic acid
CAS Number:
102582-93-4
Molecular Formula:
C9H7F3O2S
Molecular Weight:
236.2109
MDL Number:
MFCD00236351
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
Computed 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  

Synonyms
 
102582-93-4 
2-((4-(Trifluoromethyl)phenyl)thio)acetic acid 
2-[4-(trifluoromethyl)phenyl]sulfanylacetic acid 
SCHEMBL3078570 
CTK0H2438 
CCG-9203 
KS-00000YQ6 
ZINC2504787 
ZX-AP000515 
ACM349837 
MFCD00135062 
PC2456 
2-(4-(trifluoromethyl)phenylthio)acetic acid 
SBB098565 
AKOS010056918 
PS-6465 
4-[(Carboxymethyl)thio]benzotrifluoride 
AJ-36044 
BBV-34553530 
[4-(Trifluoromethyl)phenyl]thioacetic acid 
BIM-0022098.P001 
AX8215232 
DB-048707 
Acetic acid, 2-[[4-(trifluoromethyl)phenyl]thio]- 
FT-0632005 
FT-0676384 
{[4-(trifluoromethyl)phenyl]sulfanyl}acetic acid 
{[4-(Trifluoromethyl)phenyl]sulphanyl}acetic acid 
2-{[4-(trifluoromethyl)phenyl]sulfanyl}acetic acid 
2-(4- ACETICACID 
MFCD00236351 
4-(Trifluoromethylthio)phenylaceticacid 
CID5339850 
2-((4-(Trifluoromethyl)phenyl)thio)aceticacid 
Acetic acid, [[4-(trifluoromethyl)phenyl]thio]- 
349-83-7 
2-[4-(trifluoromethyl)phenylthio]acetic acid 
2-[[4-(Trifluoromethyl)phenyl]thio]acetic Acid 
CBMicro_022213 
AC1NSUBL 
ACMC-1CQMH 
Literature
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