Name: Name:3-(4,5-dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid
Brand: Angene
SKU: AG01AO5C
Rating: 90 (10 reviews)

3-(4,5-dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid

CAS No.:

501649-79-2

Catalog Number:

AG01AO5C

Molecular Formula:

C11H6Cl2N2O3

Molecular Weight:

285.0829

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Purity

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Product Description

Catalog Number:

AG01AO5C

Chemical Name:

3-(4,5-dichloro-6-oxo-1,6-dihydropyridazin-1-yl)benzoic acid

CAS Number:

501649-79-2

Molecular Formula:

C11H6Cl2N2O3

Molecular Weight:

285.0829

MDL Number:

MFCD06634002

IUPAC Name:

3-(4,5-dichloro-6-oxopyridazin-1-yl)benzoic acid

InChI:

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

InChI Key:

UCDIWDQNHGPZLN-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)n1ncc(c(c1=O)Cl)Cl

NSC Number:

319015

Properties

Complexity:

448

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
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101