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1779128-27-6 | 6-(Trifluoromethoxy)pyridin-3-amine dihydrochloride
CAS No: 1779128-27-6 Catalog No: AG01F8V5 MDL No:
Product Description
Catalog Number:
AG01F8V5
Chemical Name:
6-(Trifluoromethoxy)pyridin-3-amine dihydrochloride
CAS Number:
1779128-27-6
Molecular Formula:
C6H7Cl2F3N2O
Molecular Weight:
251.0338
IUPAC Name:
6-(trifluoromethoxy)pyridin-3-amine;dihydrochloride
InChI:
InChI=1S/C6H5F3N2O.2ClH/c7-6(8,9)12-5-2-1-4(10)3-11-5;;/h1-3H,10H2;2*1H
InChI Key:
KAPRHWSBBJLFPD-UHFFFAOYSA-N
SMILES:
Nc1ccc(nc1)OC(F)(F)F.Cl.Cl
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.03g/mol
Monoisotopic Mass:
249.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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