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1261855-99-5 | 2-Pyridinecarboxylic acid, 5-[3-(trifluoromethoxy)phenyl]-
CAS No: 1261855-99-5 Catalog No: AG000S2K MDL No:
Product Description
Catalog Number:
AG000S2K
Chemical Name:
2-Pyridinecarboxylic acid, 5-[3-(trifluoromethoxy)phenyl]-
CAS Number:
1261855-99-5
Molecular Formula:
C13H8F3NO3
Molecular Weight:
283.2027
IUPAC Name:
5-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H8F3NO3/c14-13(15,16)20-10-3-1-2-8(6-10)9-4-5-11(12(18)19)17-7-9/h1-7H,(H,18,19)
InChI Key:
QVUNWFXYQORNMN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cn1)c1cccc(c1)OC(F)(F)F
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.206g/mol
Monoisotopic Mass:
283.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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