CAS 613-30-9 | Quinoline, 2-methyl-6-nitro- | CAS Number 613-30-9

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613-30-9 | Quinoline, 2-methyl-6-nitro-

CAS No: 613-30-9 Catalog No: AG00IAU3 MDL No:MFCD00051736

Product Description

Catalog Number:

AG00IAU3

Chemical Name:

Quinoline, 2-methyl-6-nitro-

CAS Number:

613-30-9

Molecular Formula:

C10H8N2O2

Molecular Weight:

188.1827

MDL Number:

MFCD00051736

IUPAC Name:

2-methyl-6-nitroquinoline

InChI:

InChI=1S/C10H8N2O2/c1-7-2-3-8-6-9(12(13)14)4-5-10(8)11-7/h2-6H,1H3

InChI Key:

DXDPHHQJZWWAEH-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(n1)ccc(c2)[N+](=O)[O-]

Properties

Complexity:

227

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

188.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

188.186g/mol

Monoisotopic Mass:

188.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Discovery of a new antileishmanial hit in 8-nitroquinoline series.	European journal of medicinal chemistry 20120801
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