4,5-Dibromo-2-methylpyridazin-3(2H)-one - CAS 13645-74-4

Catalog:	BB008362
Product Name:	4,5-Dibromo-2-methylpyridazin-3(2H)-one
CAS:	13645-74-4
Synonyms:	4,5-dibromo-2-methyl-3-pyridazinone; 4,5-dibromo-2-methylpyridazin-3-one

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Computed Properties

IUPAC Name:	4,5-dibromo-2-methylpyridazin-3-one
Description:	4,5-Dibromo-2-methylpyridazin-3(2H)-one (CAS# 13645-74-4) is a useful research chemical.
Molecular Weight:	267.91
Molecular Formula:	C5H4Br2N2O
Canonical SMILES:	CN1C(=O)C(=C(C=N1)Br)Br
InChI:	InChI=1S/C5H4Br2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3
InChI Key:	SLVVMPLOQDFREV-UHFFFAOYSA-N
Boiling Point:	236.9 °C at 760 mmHg
Density:	2.2 g/cm³
Appearance:	Solid
LogP:	1.30530

Publication Number	Title	Priority Date
US-2017173008-A1	Antimicrobial agents and screening methods	20140319
TW-201109313-A	Derivatives of 2H pyridazin-3-ones, their preparation and their application in human therapy	20090805
US-2012178678-A1	Derivatives of 2h pyridazin- 3 -ones, their preparation and their use as scd-1 inhibitors	20090805
US-8946225-B2	Derivatives of 2H pyridazin-3-ones, their preparation and their use as SCD-1 inhibitors	20090805
WO-2009158258-A1	Herbicidal dihydro oxo six-membered azinyl isoxazolines	20080625

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	267.86699
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	265.86904
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3