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1017429-39-8 | 3-Quinolinemethanol, 2-chloro-8-ethyl-
CAS No: 1017429-39-8 Catalog No: AG0005DU MDL No:
Product Description
Catalog Number:
AG0005DU
Chemical Name:
3-Quinolinemethanol, 2-chloro-8-ethyl-
CAS Number:
1017429-39-8
Molecular Formula:
C12H12ClNO
Molecular Weight:
221.6828
IUPAC Name:
(2-chloro-8-ethylquinolin-3-yl)methanol
InChI:
InChI=1S/C12H12ClNO/c1-2-8-4-3-5-9-6-10(7-15)12(13)14-11(8)9/h3-6,15H,2,7H2,1H3
InChI Key:
QRABYCMGNNSUCD-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1nc(Cl)c(c2)CO
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.684g/mol
Monoisotopic Mass:
221.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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