CAS 114451-08-0 | 3H-Imidazo[4,5-f]quinoline, 3-methyl-2-nitro- | CAS Number 114451-08-0

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114451-08-0 | 3H-Imidazo[4,5-f]quinoline, 3-methyl-2-nitro-

CAS No: 114451-08-0 Catalog No: AG000EEB MDL No:

Product Description

Catalog Number:

AG000EEB

Chemical Name:

3H-Imidazo[4,5-f]quinoline, 3-methyl-2-nitro-

CAS Number:

114451-08-0

Molecular Formula:

C11H8N4O2

Molecular Weight:

228.2068

IUPAC Name:

3-methyl-2-nitroimidazo[4,5-f]quinoline

InChI:

InChI=1S/C11H8N4O2/c1-14-9-5-4-8-7(3-2-6-12-8)10(9)13-11(14)15(16)17/h2-6H,1H3

InChI Key:

JQICQDTZNZTBEZ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1

UNII:

O8YW0O14FY

Properties

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.211g/mol

Monoisotopic Mass:

228.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Human acetyl CoA:arylamine N-acetyltransferase variants generated by random mutagenesis.	Molecular pharmacology 20040101
Regional mutagenicity of heterocyclic amines in the intestine: mutation analysis of the cII gene in lambda/lacZ transgenic mice.	Mutation research 20030805