CAS 2166-31-6 | 6-Phenylpyridazin-3(2H);-one | CAS Number 2166-31-6

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2166-31-6 | 6-Phenylpyridazin-3(2H);-one

CAS No: 2166-31-6 Catalog No: AG003NBV MDL No:MFCD00114953

Product Description

Catalog Number:

AG003NBV

Chemical Name:

6-Phenylpyridazin-3(2H);-one

CAS Number:

2166-31-6

Molecular Formula:

C10H8N2O

Molecular Weight:

172.1833

MDL Number:

MFCD00114953

IUPAC Name:

3-phenyl-1H-pyridazin-6-one

InChI:

InChI=1S/C10H8N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)

InChI Key:

IJUIPRDMWWBTTQ-UHFFFAOYSA-N

SMILES:

O=c1ccc(n[nH]1)c1ccccc1

EC Number:

218-505-1

NSC Number:

13399

Properties

Complexity:

262

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

172.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

172.187g/mol

Monoisotopic Mass:

172.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
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
Pyridazines. Part XXIX: synthesis and platelet aggregation inhibition activity of 5-substituted-6-phenyl-3(2H)-pyridazinones. Novel aspects of their biological actions.	Bioorganic & medicinal chemistry 20020901