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139036-07-0 | 8-Quinolinol, 5-chloro-7-(2-ethylhexyl)-
CAS No: 139036-07-0 Catalog No: AG001A25 MDL No:
Product Description
Catalog Number:
AG001A25
Chemical Name:
8-Quinolinol, 5-chloro-7-(2-ethylhexyl)-
CAS Number:
139036-07-0
Molecular Formula:
C17H22ClNO
Molecular Weight:
291.8157
IUPAC Name:
5-chloro-7-(2-ethylhexyl)quinolin-8-ol
InChI:
InChI=1S/C17H22ClNO/c1-3-5-7-12(4-2)10-13-11-15(18)14-8-6-9-19-16(14)17(13)20/h6,8-9,11-12,20H,3-5,7,10H2,1-2H3
InChI Key:
GAECVJOJPDIDDC-UHFFFAOYSA-N
SMILES:
CCCCC(Cc1cc(Cl)c2c(c1O)nccc2)CC
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.139g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.819g/mol
Monoisotopic Mass:
291.139g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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