Home Carboxys methyl 3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate

methyl 3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate

CAS No.:
1256836-97-1
Catalog Number:
AG01B4X5
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
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Product Description
Catalog Number:
AG01B4X5
Chemical Name:
methyl 3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CAS Number:
1256836-97-1
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
IUPAC Name:
methyl 3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
InChI:
InChI=1S/C8H6F3NO3/c1-15-7(14)5-6(13)4(2-3-12-5)8(9,10)11/h2-3,13H,1H3
InChI Key:
UZZAEFNOODSFLS-UHFFFAOYSA-N
SMILES:
COC(=O)c1nccc(c1O)C(F)(F)F
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.135g/mol
Monoisotopic Mass:
221.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties