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239080-04-7,MFCD00236350
Catalog No.:AA003I8I
239080-04-7 | 2-(3-((Trifluoromethyl)thio)phenyl)acetic acid
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1g
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$209.00   $147.00
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Technical Information
Catalog Number:
AA003I8I
Chemical Name:
2-(3-((Trifluoromethyl)thio)phenyl)acetic acid
CAS Number:
239080-04-7
Molecular Formula:
C9H7F3O2S
Molecular Weight:
236.2109
MDL Number:
MFCD00236350
IUPAC Name:
2-[3-(trifluoromethylsulfanyl)phenyl]acetic acid
InChI:
InChI=1S/C9H7F3O2S/c10-9(11,12)15-7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key:
FSTITWGTGMPLTF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)SC(F)(F)F
Properties
Computed Properties
 
Complexity:
230  
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:
3.4  

Synonyms
 
239080-04-7 
3-(Trifluoromethylthio)phenylacetic acid 
2-[3-(trifluoromethylsulfanyl)phenyl]acetic Acid 
SCHEMBL2646892 
CTK4F2541 
DTXSID90380702 
FSTITWGTGMPLTF-UHFFFAOYSA-N 
JRD-0708 
ZINC2560239 
ZX-AP008176 
8073AD 
PC4365 
2-(3-((Trifluoromethyl)thio)phenyl)acetic acid 
SBB098568 
AKOS015853049 
JS-4134 
RTR-039908 
ACM239080047 
3-((Trifluoromethyl)thio)phenylacetic acid 
TR-039908 
Benzeneacetic acid,3-[(trifluoromethyl)thio]- 
3-(Trifluoromethylthio)phenylacetic acid, 97% 
{3-[(trifluoromethyl)sulfanyl]phenyl}acetic acid 
MFCD00236350 
{3-[(Trifluoromethyl)sulphanyl]phenyl}acetic acid 
2-[3-(trifluoromethylsulfanyl)phenyl]ethanoic acid 
A816976 
I14-63111 
3- PHENYLACETICACID 
C9H7F3O2S 
CID2777897 
2-[3-(trifluoromethylthio)phenyl]acetic acid 
2-{3-[(trifluoromethyl)sulfanyl]phenyl}acetic acid 
2-(3-(trifluoromethylthio)phenyl)acetic acid 
PubChem7367 
AC1MCS2Z 
ACMC-1CE2M 
Literature
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