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2-Bromo-4-methoxybenzenesulfonyl Chloride

2-Bromo-4-methoxybenzenesulfonyl Chloride - CAS 23095-16-1

Catalog:	BB017924
Product Name:	2-Bromo-4-methoxybenzenesulfonyl Chloride
CAS:	23095-16-1
Synonyms:	2-bromo-4-methoxybenzenesulfonyl chloride; 2-bromo-4-methoxybenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4-methoxybenzenesulfonyl chloride
Description:	2-Bromo-4-methoxybenzenesulfonyl Chloride (CAS# 23095-16-1) is a useful research chemical.
Molecular Weight:	285.54
Molecular Formula:	C7H6BrClO3S
Canonical SMILES:	COC1=CC(=C(C=C1)S(=O)(=O)Cl)Br
InChI:	InChI=1S/C7H6BrClO3S/c1-12-5-2-3-7(6(8)4-5)13(9,10)11/h2-4H,1H3
InChI Key:	NRNTWMTVYWBKSM-UHFFFAOYSA-N
LogP:	3.46600

Publication Number	Title	Priority Date
WO-2021102314-A1	Trpv4 receptor ligands	20191121
CN-110114358-A	New compound and its salt pharmacologically allowed	20161226
CN-109311894-A	N- (substituted-phenyl)-sulfamide derivative as kinase inhibitor	20160621
CN-109563103-A	For treating or preventing the regulator of Î² -3 adrenergic receptor of relative illness	20160606
CN-107257788-A	Benzenesulfonamide derivatives as the orphan receptor Î³ (ROR Î³ (t)) related to biostearin inverse agonist	20141219

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Related Functional Groups

Halides

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.89096
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	283.89096
Rotatable Bond Count:	2
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6