4-Bromopyridazine-3,6-diol - CAS 15456-86-7

Catalog:	BB011029
Product Name:	4-Bromopyridazine-3,6-diol
CAS:	15456-86-7
Synonyms:	4-bromo-1,2-dihydropyridazine-3,6-dione; 4-bromo-1,2-dihydropyridazine-3,6-dione

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-1,2-dihydropyridazine-3,6-dione
Description:	4-Bromopyridazine-3,6-diol (CAS# 15456-86-7) is a useful research chemical.
Molecular Weight:	190.98
Molecular Formula:	C4H3BrN2O2
Canonical SMILES:	C1=C(C(=O)NNC1=O)Br
InChI:	InChI=1S/C4H3BrN2O2/c5-2-1-3(8)6-7-4(2)9/h1H,(H,6,8)(H,7,9)
InChI Key:	BMASTHFFAMGJKZ-UHFFFAOYSA-N
Density:	1.965 g/cm³
MDL:	MFCD12923098
LogP:	0.23800

Publication Number	Title	Priority Date
CN-112142744-A	Substituted fused heteroaromatic bicyclic compounds as kinase inhibitors and uses thereof	20190628
WO-2020259601-A1	Substituted fused heteroaromatic bicyclic compounds as kinase inhibitors and the use thereof	20190628
CN-111253404-A	Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof	20181130
WO-2020108659-A1	Nitrogen-containing heterocyclic compound and composition thereof, preparation method therefor, and application thereof	20181130
EP-3889156-A1	Nitrogen-containing heterocyclic compound and composition thereof, preparation method therefor, and application thereof	20181130

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Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.93779
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	189.93779
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1