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Home Carboxys Methyl 4-hydroxy-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate

Methyl 4-hydroxy-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate

CAS No.:
175203-39-1
Catalog Number:
AG0020JF
Molecular Formula:
C10H6F3NO3S
Molecular Weight:
277.2197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$91
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1g
1 week
United States
$142
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Product Description
Catalog Number:
AG0020JF
Chemical Name:
Methyl 4-hydroxy-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
CAS Number:
175203-39-1
Molecular Formula:
C10H6F3NO3S
Molecular Weight:
277.2197
MDL Number:
MFCD00173841
IUPAC Name:
methyl 4-oxo-2-(trifluoromethyl)-1H-thieno[3,4-b]pyridine-7-carboxylate
InChI:
InChI=1S/C10H6F3NO3S/c1-17-9(16)8-7-4(3-18-8)5(15)2-6(14-7)10(11,12)13/h2-3,14H,1H3
InChI Key:
TXKLKXDFQLQJJI-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc2c1nc(cc2O)C(F)(F)F
Properties
Complexity:
421  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.002g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.217g/mol
Monoisotopic Mass:
277.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties