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161431-57-8 | 5-Quinolinamine, 8-(trifluoromethyl)-
CAS No: 161431-57-8 Catalog No: AG001SHE MDL No:
Product Description
Catalog Number:
AG001SHE
Chemical Name:
5-Quinolinamine, 8-(trifluoromethyl)-
CAS Number:
161431-57-8
Molecular Formula:
C10H7F3N2
Molecular Weight:
212.1712
IUPAC Name:
8-(trifluoromethyl)quinolin-5-amine
InChI:
InChI=1S/C10H7F3N2/c11-10(12,13)7-3-4-8(14)6-2-1-5-15-9(6)7/h1-5H,14H2
InChI Key:
MFLUPLVEVVDFOD-UHFFFAOYSA-N
SMILES:
Nc1ccc(c2c1cccn2)C(F)(F)F
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.175g/mol
Monoisotopic Mass:
212.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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