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102259-70-1 | 2-Quinolineethanol, 6-(dimethylamino)-α,α-bis(trifluoromethyl)-
CAS No: 102259-70-1 Catalog No: AG000717 MDL No:
Product Description
Catalog Number:
AG000717
Chemical Name:
2-Quinolineethanol, 6-(dimethylamino)-α,α-bis(trifluoromethyl)-
CAS Number:
102259-70-1
Molecular Formula:
C15H14F6N2O
Molecular Weight:
352.2749
IUPAC Name:
2-[[6-(dimethylamino)quinolin-2-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
InChI:
InChI=1S/C15H14F6N2O/c1-23(2)11-5-6-12-9(7-11)3-4-10(22-12)8-13(24,14(16,17)18)15(19,20)21/h3-7,24H,8H2,1-2H3
InChI Key:
AWILFNKHRQWBNJ-UHFFFAOYSA-N
SMILES:
CN(c1ccc2c(c1)ccc(n2)CC(C(F)(F)F)(C(F)(F)F)O)C
NSC Number:
160147
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.101g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.28g/mol
Monoisotopic Mass:
352.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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