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869109-12-6 | 4-{[3-(Trifluoromethyl)pyridin-2-yl]oxy}benzoic acid
CAS No: 869109-12-6 Catalog No: AG01EY02 MDL No:
Product Description
Catalog Number:
AG01EY02
Chemical Name:
4-{[3-(Trifluoromethyl)pyridin-2-yl]oxy}benzoic acid
CAS Number:
869109-12-6
Molecular Formula:
C13H8F3NO3
Molecular Weight:
283.2027
IUPAC Name:
4-[3-(trifluoromethyl)pyridin-2-yl]oxybenzoic acid
InChI:
InChI=1S/C13H8F3NO3/c14-13(15,16)10-2-1-7-17-11(10)20-9-5-3-8(4-6-9)12(18)19/h1-7H,(H,18,19)
InChI Key:
QIGRVKHCROHFFD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Oc1ncccc1C(F)(F)F
Properties
Complexity:
340
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:
3.1
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