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1311138-98-3 | 3-Pyridinamine, 6-[4-methyl-3-(trifluoromethoxy)phenoxy]-
CAS No: 1311138-98-3 Catalog No: AG000VJ7 MDL No:
Product Description
Catalog Number:
AG000VJ7
Chemical Name:
3-Pyridinamine, 6-[4-methyl-3-(trifluoromethoxy)phenoxy]-
CAS Number:
1311138-98-3
Molecular Formula:
C13H11F3N2O2
Molecular Weight:
284.2338
IUPAC Name:
6-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridin-3-amine
InChI:
InChI=1S/C13H11F3N2O2/c1-8-2-4-10(6-11(8)20-13(14,15)16)19-12-5-3-9(17)7-18-12/h2-7H,17H2,1H3
InChI Key:
PDJHPVCNLXVWGK-UHFFFAOYSA-N
SMILES:
Nc1ccc(nc1)Oc1ccc(c(c1)OC(F)(F)F)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.238g/mol
Monoisotopic Mass:
284.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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