2-Bromo-5-sulfamoylbenzoic Acid - CAS 22361-61-1

Catalog:	BB017559
Product Name:	2-Bromo-5-sulfamoylbenzoic Acid
CAS:	22361-61-1
Synonyms:	2-bromo-5-sulfamoylbenzoic acid; 2-bromo-5-sulfamoylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-sulfamoylbenzoic acid
Description:	2-Bromo-5-sulfamoylbenzoic Acid (CAS# 22361-61-1) is a useful research chemical compound.
Molecular Weight:	280.10
Molecular Formula:	C7H6BrNO4S
Canonical SMILES:	C1=CC(=C(C=C1S(=O)(=O)N)C(=O)O)Br
InChI:	InChI=1S/C7H6BrNO4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,(H,10,11)(H2,9,12,13)
InChI Key:	WNBYWDDLBAANSQ-UHFFFAOYSA-N
LogP:	1.72808

Publication Number	Title	Priority Date
US-2015246958-A1	Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs	20131206
WO-2015081891-A1	Bioreversable promoieties for nitrogen-containing and hydroxyl-containing drugs	20131206
US-4124590-A	Sulfamylbenzoic acids	19740620
US-3992441-A	Sulfamylbenzoic acids	19721226
US-4377521-A	Sulfamylbenzoic acids	19721226

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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:	323
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	278.92009
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	278.92009
Rotatable Bond Count:	2
Topological Polar Surface Area:	106 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6