Home Fluorides 1003709-67-8
1003709-67-8,MFCD06797838
Catalog No.:AA0001P5
1003709-67-8 | 4-Methoxy-2,3,5-trifluorobenzoic acid
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1g
95%
in stock  
$279.00   $195.00
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5g
95%
in stock  
$1,048.00   $734.00
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10g
95%
in stock  
$2,000.00   $1,400.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0001P5
Chemical Name:
4-Methoxy-2,3,5-trifluorobenzoic acid
CAS Number:
1003709-67-8
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
MDL Number:
MFCD06797838
IUPAC Name:
2,3,5-trifluoro-4-methoxybenzoic acid
InChI:
InChI=1S/C8H5F3O3/c1-14-7-4(9)2-3(8(12)13)5(10)6(7)11/h2H,1H3,(H,12,13)
InChI Key:
SGQBBRRGMRJQPE-UHFFFAOYSA-N
SMILES:
COc1c(F)cc(c(c1F)F)C(=O)O
Properties
Computed Properties
 
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.12g/mol
Monoisotopic Mass:
206.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
4-METHOXY-2,3,5-TRIFLUOROBENZOIC ACID 
1003709-67-8 
ACT01000 
MFCD06797838 
ZINC21982525 
AKOS016009657 
AS01893 
CM-1081 
CM12841 
DS-2720 
FCH1382409 
PC49653 
2,3,5-Trifluoro-4-methoxybenzoic acid 
RP26207 
AJ-79093 
BC676227 
AX8161289 
Benzoic acid, 2,3,5-trifluoro-4-methoxy- 
ST2411491 
4CH-016457 
FT-0691363 
X4503 
J-515628 
4-Methoxy-2,3,5-trifluorobenzoicacid 
C8H5F3O3 
AK-32622 
PubChem4457 
SCHEMBL6422815 
CTK6J4303 
KS-00000HUB 
DTXSID20625496 
Literature
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