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2-Bromo-4,5-dimethoxybenzenesulfonyl Chloride

2-Bromo-4,5-dimethoxybenzenesulfonyl Chloride - CAS 51072-64-1

Catalog:	BB027321
Product Name:	2-Bromo-4,5-dimethoxybenzenesulfonyl Chloride
CAS:	51072-64-1
Synonyms:	2-bromo-4,5-dimethoxybenzenesulfonyl chloride; 2-bromo-4,5-dimethoxybenzenesulfonyl chloride

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromo-4,5-dimethoxybenzenesulfonyl chloride
Description:	2-Bromo-4,5-dimethoxybenzenesulfonyl Chloride (CAS# 51072-64-1 ) is a useful research chemical.
Molecular Weight:	315.57
Molecular Formula:	C8H8BrClO4S
Canonical SMILES:	COC1=CC(=C(C=C1OC)Br)S(=O)(=O)Cl
InChI:	InChI=1S/C8H8BrClO4S/c1-13-6-3-5(9)8(15(10,11)12)4-7(6)14-2/h3-4H,1-2H3
InChI Key:	UGBLMSQDINTCMI-UHFFFAOYSA-N
Boiling Point:	391.3 °C at 760 mmHg
Density:	1.658 g/cm³
MDL:	MFCD06655898
LogP:	3.47460

Publication Number	Title	Priority Date
JP-2008308494-A	Novel catechol derivatives, pharmaceutical compositions containing them, and uses thereof	20070517
WO-2004043366-A2	Sulfonamides	20021106
US-2003100580-A1	Urotensin-II receptor antagonists	20020613
CA-2446365-A1	Sulfonamides	20010507
CN-1516580-A	Sulfonamides	20010507

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Complexity:	302
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	313.90152
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	313.90152
Rotatable Bond Count:	3
Topological Polar Surface Area:	61
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6