CAS 95104-21-5 | 2-Chloroquinoline-3-carbonitrile | CAS Number 95104-21-5

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95104-21-5 | 2-Chloroquinoline-3-carbonitrile

CAS No: 95104-21-5 Catalog No: AG003H3L MDL No:MFCD08437566

Product Description

Catalog Number:

AG003H3L

Chemical Name:

2-Chloroquinoline-3-carbonitrile

CAS Number:

95104-21-5

Molecular Formula:

C10H5ClN2

Molecular Weight:

188.6131

MDL Number:

MFCD08437566

IUPAC Name:

2-chloroquinoline-3-carbonitrile

InChI:

InChI=1S/C10H5ClN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h1-5H

InChI Key:

UGTRDMPALMEDBU-UHFFFAOYSA-N

SMILES:

N#Cc1cc2ccccc2nc1Cl

Properties

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

188.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

188.614g/mol

Monoisotopic Mass:

188.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

36.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
C-C bond formation at C-2 of a quinoline ring: synthesis of 2-(1H-indol-3-yl)quinoline-3-carbonitrile derivatives as a new class of PDE4 inhibitors.	Bioorganic & medicinal chemistry 20120401
Synthesis and antimicrobial activity of novel pyrazolo[3,4-b]quinoline derivatives.	Archiv der Pharmazie 20010401