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Home Carboxys methyl 6-hydroxy-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

methyl 6-hydroxy-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

CAS No.:
380419-63-6
Catalog Number:
AG01BFTX
Molecular Formula:
C10H6F3NO3S
Molecular Weight:
277.2197
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Product Description
Catalog Number:
AG01BFTX
Chemical Name:
methyl 6-hydroxy-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CAS Number:
380419-63-6
Molecular Formula:
C10H6F3NO3S
Molecular Weight:
277.2197
MDL Number:
MFCD16615464
IUPAC Name:
methyl 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C10H6F3NO3S/c1-17-9(16)6-2-4-5(10(11,12)13)3-7(15)14-8(4)18-6/h2-3H,1H3,(H,14,15)
InChI Key:
RTLPUQBPJNNLJG-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1)c(cc(n2)O)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:
7  
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  
Properties