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1260658-30-7 | 3-Pyridinamine, 4-(1-methylethyl)-6-(trifluoromethyl)-
CAS No: 1260658-30-7 Catalog No: AG000QYP MDL No:
Product Description
Catalog Number:
AG000QYP
Chemical Name:
3-Pyridinamine, 4-(1-methylethyl)-6-(trifluoromethyl)-
CAS Number:
1260658-30-7
Molecular Formula:
C9H11F3N2
Molecular Weight:
204.1922
IUPAC Name:
4-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
InChI:
InChI=1S/C9H11F3N2/c1-5(2)6-3-8(9(10,11)12)14-4-7(6)13/h3-5H,13H2,1-2H3
InChI Key:
NVYZQTGVQSYBHY-UHFFFAOYSA-N
SMILES:
CC(c1cc(ncc1N)C(F)(F)F)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.196g/mol
Monoisotopic Mass:
204.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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