Name: Name:2-(1H-1,3-benzodiazol-2-yl)-4,5-dichloro-2,3-dihydropyridazin-3-one
Brand: Angene
SKU: AG00I8WQ
Rating: 90 (10 reviews)

2-(1H-1,3-benzodiazol-2-yl)-4,5-dichloro-2,3-dihydropyridazin-3-one

CAS No.:

499227-78-0

Catalog Number:

AG00I8WQ

Molecular Formula:

C11H6Cl2N4O

Molecular Weight:

281.0975

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Purity

Availability

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Product Description

Catalog Number:

AG00I8WQ

Chemical Name:

2-(1H-1,3-benzodiazol-2-yl)-4,5-dichloro-2,3-dihydropyridazin-3-one

CAS Number:

499227-78-0

Molecular Formula:

C11H6Cl2N4O

Molecular Weight:

281.0975

MDL Number:

MFCD03948593

IUPAC Name:

2-(1H-benzimidazol-2-yl)-4,5-dichloropyridazin-3-one

InChI:

InChI=1S/C11H6Cl2N4O/c12-6-5-14-17(10(18)9(6)13)11-15-7-3-1-2-4-8(7)16-11/h1-5H,(H,15,16)

InChI Key:

RLBDZNREZLWNGW-UHFFFAOYSA-N

SMILES:

Clc1c(Cl)cnn(c1=O)c1nc2c([nH]1)cccc2

Properties

Complexity:

437

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.992g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.096g/mol

Monoisotopic Mass:

279.992g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

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