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Home > Fluorides > 1287218-58-9
1287218-58-9 | 3-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}benzoic acid
CAS No: 1287218-58-9 Catalog No: AG01F8GL MDL No:
Product Description
Catalog Number:
AG01F8GL
Chemical Name:
3-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}benzoic acid
CAS Number:
1287218-58-9
Molecular Formula:
C13H8F3NO3
Molecular Weight:
283.2027
IUPAC Name:
3-[6-(trifluoromethyl)pyridin-2-yl]oxybenzoic acid
InChI:
InChI=1S/C13H8F3NO3/c14-13(15,16)10-5-2-6-11(17-10)20-9-4-1-3-8(7-9)12(18)19/h1-7H,(H,18,19)
InChI Key:
UWYPBJPQEGBZET-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Oc1cccc(n1)C(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:
3.2
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