CAS 1017429-47-8 | 3-Quinolinemethanol, 2-chloro-7,8-dimethyl- | CAS Number 1017429-47-8

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1017429-47-8 | 3-Quinolinemethanol, 2-chloro-7,8-dimethyl-

CAS No: 1017429-47-8 Catalog No: AG0005DT MDL No:

Product Description

Catalog Number:

AG0005DT

Chemical Name:

3-Quinolinemethanol, 2-chloro-7,8-dimethyl-

CAS Number:

1017429-47-8

Molecular Formula:

C12H12ClNO

Molecular Weight:

221.6828

IUPAC Name:

(2-chloro-7,8-dimethylquinolin-3-yl)methanol

InChI:

InChI=1S/C12H12ClNO/c1-7-3-4-9-5-10(6-15)12(13)14-11(9)8(7)2/h3-5,15H,6H2,1-2H3

InChI Key:

AHIYRBIKPINREI-UHFFFAOYSA-N

SMILES:

OCc1cc2ccc(c(c2nc1Cl)C)C

Properties

Complexity:

224

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.684g/mol

Monoisotopic Mass:

221.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

33.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
(2-Chloro-8-meth-oxy-quinolin-3-yl)methanol monohydrate.	Acta crystallographica. Section E, Structure reports online 20100701
2-Chloro-3-hydroxy-methyl-7,8-dimethyl-quinoline.	Acta crystallographica. Section E, Structure reports online 20100101