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Home > Fluorides > 1215846-99-3
1215846-99-3 | 3-{[4-(Trifluoromethyl)pyrimidin-2-yl]oxy}benzoic acid
CAS No: 1215846-99-3 Catalog No: AG01F7WM MDL No:
Product Description
Catalog Number:
AG01F7WM
Chemical Name:
3-{[4-(Trifluoromethyl)pyrimidin-2-yl]oxy}benzoic acid
CAS Number:
1215846-99-3
Molecular Formula:
C12H7F3N2O3
Molecular Weight:
284.1908
IUPAC Name:
3-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzoic acid
InChI:
InChI=1S/C12H7F3N2O3/c13-12(14,15)9-4-5-16-11(17-9)20-8-3-1-2-7(6-8)10(18)19/h1-6H,(H,18,19)
InChI Key:
KMCDGYPVORJOBQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Oc1nccc(n1)C(F)(F)F
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.194g/mol
Monoisotopic Mass:
284.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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