CAS 123637-97-8 | 3-Quinolinemethanol, 2-chloro-6-methyl- | CAS Number 123637-97-8

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123637-97-8 | 3-Quinolinemethanol, 2-chloro-6-methyl-

CAS No: 123637-97-8 Catalog No: AG000KWT MDL No:MFCD02232327

Product Description

Catalog Number:

AG000KWT

Chemical Name:

3-Quinolinemethanol, 2-chloro-6-methyl-

CAS Number:

123637-97-8

Molecular Formula:

C11H10ClNO

Molecular Weight:

207.6562

MDL Number:

MFCD02232327

IUPAC Name:

(2-chloro-6-methylquinolin-3-yl)methanol

InChI:

InChI=1S/C11H10ClNO/c1-7-2-3-10-8(4-7)5-9(6-14)11(12)13-10/h2-5,14H,6H2,1H3

InChI Key:

JYQVWLZEYAYKHI-UHFFFAOYSA-N

SMILES:

OCc1cc2cc(C)ccc2nc1Cl

Properties

Complexity:

200

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.045g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

207.657g/mol

Monoisotopic Mass:

207.045g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

33.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
(2-Chloro-6-methyl-quinolin-3-yl)methanol.	Acta crystallographica. Section E, Structure reports online 20100701