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1000566-45-9,MFCD09832302
Catalog No.:AA0000ND
1000566-45-9 | Benzeneacetic acid, 4-methoxy-3-(trifluoromethyl)-
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Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$134.00
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5g
98%(HPLC)
in stock  
$639.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000ND
Chemical Name:
Benzeneacetic acid, 4-methoxy-3-(trifluoromethyl)-
CAS Number:
1000566-45-9
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
MDL Number:
MFCD09832302
IUPAC Name:
2-[4-methoxy-3-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C10H9F3O3/c1-16-8-3-2-6(5-9(14)15)4-7(8)10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChI Key:
SVJBALZZRCDJHL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(F)(F)F)CC(=O)O
Properties
Computed Properties
 
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.174g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
1000566-45-9 
2-(4-Methoxy-3-(trifluoromethyl)phenyl)acetic acid 
0067AA 
ANW-69163 
SBB098211 
ZINC38529716 
AKOS015956630 
AS06117 
CM13724 
JS-4593 
AJ-95482 
AN-17086 
4-METHOXY-3-(TRIFLUOROMETHYL)PHENYLACETIC ACID 
PC302606 
SC-54860 
AX8228112 
TC-157908 
[4-Methoxy-3-(trifluoromethyl)phenyl]acetic acid 
Benzeneacetic acid, 4-methoxy-3-(trifluoromethyl)- 
C10H9F3O3 
2-(4-Methoxy-3-(trifluoromethyl)phenyl)aceticacid 
N/A 
2-[4-methoxy-3-(trifluoromethyl)phenyl]acetic acid 
MFCD09832302 
2-(3-(TRIFLUOROMETHYL)-4-METHOXYPHENYL)ACETIC ACID 
SCHEMBL2127169 
CTK7A5795 
DTXSID80674006 
SVJBALZZRCDJHL-UHFFFAOYSA-N 
Literature
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