CAS 300843-87-2 | 3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one | CAS Number 300843-87-2

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300843-87-2 | 3-(4-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one

CAS No: 300843-87-2 Catalog No: AG00IUNP MDL No:MFCD00232445

Product Description

Catalog Number:

AG00IUNP

Chemical Name:

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

CAS Number:

300843-87-2

Molecular Formula:

C18H12N2O

Molecular Weight:

272.3007

MDL Number:

MFCD00232445

IUPAC Name:

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

InChI:

InChI=1S/C18H12N2O/c1-11-6-8-12(9-7-11)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3

InChI Key:

ITHVHASAWMAMQC-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)c1nnc2c(c1)C(=O)c1c2cccc1

Properties

Complexity:

402

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

272.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

272.307g/mol

Monoisotopic Mass:

272.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

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