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1227581-20-5 | 4-Pyridinecarboxylic acid, 2-methoxy-6-(trifluoromethyl)-
CAS No: 1227581-20-5 Catalog No: AG000JBM MDL No:
Product Description
Catalog Number:
AG000JBM
Chemical Name:
4-Pyridinecarboxylic acid, 2-methoxy-6-(trifluoromethyl)-
CAS Number:
1227581-20-5
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
IUPAC Name:
2-methoxy-6-(trifluoromethyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H6F3NO3/c1-15-6-3-4(7(13)14)2-5(12-6)8(9,10)11/h2-3H,1H3,(H,13,14)
InChI Key:
KLQHNZRQGMJSRK-UHFFFAOYSA-N
SMILES:
COc1cc(cc(n1)C(F)(F)F)C(=O)O
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:
1.6
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