CAS 101617-91-8 | 3-Quinolinecarbonitrile, 2-chloro-6-methoxy- | CAS Number 101617-91-8

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101617-91-8 | 3-Quinolinecarbonitrile, 2-chloro-6-methoxy-

CAS No: 101617-91-8 Catalog No: AG0004ZD MDL No:MFCD02740422

Product Description

Catalog Number:

AG0004ZD

Chemical Name:

3-Quinolinecarbonitrile, 2-chloro-6-methoxy-

CAS Number:

101617-91-8

Molecular Formula:

C11H7ClN2O

Molecular Weight:

218.6391

MDL Number:

MFCD02740422

IUPAC Name:

2-chloro-6-methoxyquinoline-3-carbonitrile

InChI:

InChI=1S/C11H7ClN2O/c1-15-9-2-3-10-7(5-9)4-8(6-13)11(12)14-10/h2-5H,1H3

InChI Key:

AMFXVCDHDIEGIM-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)cc(c(n2)Cl)C#N

Properties

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.64g/mol

Monoisotopic Mass:

218.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501