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86575-23-7 | Benzenamine, 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-
CAS No: 86575-23-7 Catalog No: AG004UCK MDL No:
Product Description
Catalog Number:
AG004UCK
Chemical Name:
Benzenamine, 4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]-
CAS Number:
86575-23-7
Molecular Formula:
C12H8ClF3N2O
Molecular Weight:
288.6529
IUPAC Name:
4-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]oxyaniline
InChI:
InChI=1S/C12H8ClF3N2O/c13-10-5-7(12(14,15)16)6-11(18-10)19-9-3-1-8(17)2-4-9/h1-6H,17H2
InChI Key:
QGFYTVHRUSHVSZ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Oc1nc(Cl)cc(c1)C(F)(F)F
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.654g/mol
Monoisotopic Mass:
288.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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