CAS 1147-64-4 | Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)- | CAS Number 1147-64-4

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1147-64-4 | Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-

CAS No: 1147-64-4 Catalog No: AG000F2C MDL No:MFCD01918613

Product Description

Catalog Number:

AG000F2C

Chemical Name:

Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-

CAS Number:

1147-64-4

Molecular Formula:

C11H6Cl2N2O3

Molecular Weight:

285.0829

MDL Number:

MFCD01918613

IUPAC Name:

4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoic acid

InChI:

InChI=1S/C11H6Cl2N2O3/c12-8-5-14-15(10(16)9(8)13)7-3-1-6(2-4-7)11(17)18/h1-5H,(H,17,18)

InChI Key:

PAXANYFYBRBZOE-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)n1ncc(c(c1=O)Cl)Cl

Properties

Complexity:

440

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

283.976g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.08g/mol

Monoisotopic Mass:

283.976g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
A comprehensive strategy to discover inhibitors of the translesion synthesis DNA polymerase κ.	PloS one 20120101
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