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1364678-39-6 | 3-Pyridinecarboxylic acid, 5-(4-cyanophenyl)-6-(2,2,2-trifluoroethoxy)-
CAS No: 1364678-39-6 Catalog No: AG0011VZ MDL No:
Product Description
Catalog Number:
AG0011VZ
Chemical Name:
3-Pyridinecarboxylic acid, 5-(4-cyanophenyl)-6-(2,2,2-trifluoroethoxy)-
CAS Number:
1364678-39-6
Molecular Formula:
C15H9F3N2O3
Molecular Weight:
322.2388
IUPAC Name:
5-(4-cyanophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
InChI:
InChI=1S/C15H9F3N2O3/c16-15(17,18)8-23-13-12(5-11(7-20-13)14(21)22)10-3-1-9(6-19)2-4-10/h1-5,7H,8H2,(H,21,22)
InChI Key:
KRDMLWXBTGQOCF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cc(cnc1OCC(F)(F)F)C(=O)O
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.057g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.243g/mol
Monoisotopic Mass:
322.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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