CAS 136716-38-6 | 5H-Indeno[1,2-c]pyridazin-5-one, 3-(4-chlorophenyl)- | CAS Number 136716-38-6

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136716-38-6 | 5H-Indeno[1,2-c]pyridazin-5-one, 3-(4-chlorophenyl)-

CAS No: 136716-38-6 Catalog No: AG001294 MDL No:MFCD00232434

Product Description

Catalog Number:

AG001294

Chemical Name:

5H-Indeno[1,2-c]pyridazin-5-one, 3-(4-chlorophenyl)-

CAS Number:

136716-38-6

Molecular Formula:

C17H9ClN2O

Molecular Weight:

292.7192

MDL Number:

MFCD00232434

IUPAC Name:

3-(4-chlorophenyl)indeno[1,2-c]pyridazin-5-one

InChI:

InChI=1S/C17H9ClN2O/c18-11-7-5-10(6-8-11)15-9-14-16(20-19-15)12-3-1-2-4-13(12)17(14)21/h1-9H

InChI Key:

JFJICFFERUCIOU-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)c1nnc2c(c1)C(=O)c1c2cccc1

NSC Number:

663885

Properties

Complexity:

408

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

292.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

292.722g/mol

Monoisotopic Mass:

292.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Impact of species-dependent differences on screening, design, and development of MAO B inhibitors.	Journal of medicinal chemistry 20061019