2-Bromo-1-(6-chloro-3-pyridazinyl)-Ethanone - CAS 359794-51-7

Catalog:	BB055251
Product Name:	2-Bromo-1-(6-chloro-3-pyridazinyl)-Ethanone
CAS:	359794-51-7
Synonyms:	2-bromo-1-(6-chloropyridazin-3-yl)ethanone; 2-bromo-1-(6-chloro-3-pyridazinyl)-Ethanone; 2-bromo-1-(6-chloropyridazin-3-yl)ethan-1-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1-(6-chloropyridazin-3-yl)ethanone
Molecular Weight:	235.47
Molecular Formula:	C6H4BrClN2O
Canonical SMILES:	C1=CC(=NN=C1C(=O)CBr)Cl
InChI:	InChI=1S/C6H4BrClN2O/c7-3-5(11)4-1-2-6(8)10-9-4/h1-2H,3H2
InChI Key:	NJUDUAHNKPDSCV-UHFFFAOYSA-N
References:	Ashton, W., et al. Brit. UK Pat. Appl., GB 2356197 A 20010516 (2001).

Publication Number	Title	Priority Date
US-2013203656-A1	Inhibitors of hcv ns5a	20100524
US-2015057218-A1	Inhibitors of hcv ns5a	20100524
US-8877707-B2	Inhibitors of HCV NS5A	20100524
WO-2011149856-A1	Inhibitors of hcv ns5a	20100524
AU-2011242569-A1	Certain amino-pyridazines, compositions thereof, and methods of their use	20100423
AU-2011242569-B2	Certain amino-pyridazines, compositions thereof, and methods of their use	20100423
AU-2016202617-A1	Certain amino-pyridazines, compositions thereof, and methods of their use	20100423
AU-2016202617-B2	Certain amino-pyridazines, compositions thereof, and methods of their use	20100423
AU-2018201953-A1	Certain amino-pyridazines, compositions thereof, and methods of their use	20100423
AU-2018201953-B2	Certain amino-pyridazines, compositions thereof, and methods of their use	20100423

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.91955
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.91955
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6