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3-chlorosulfonyl-benzoic acid methyl ester

3-chlorosulfonyl-benzoic acid methyl ester - CAS 63555-50-0

Catalog:	BB032193
Product Name:	3-chlorosulfonyl-benzoic acid methyl ester
CAS:	63555-50-0
Synonyms:	3-chlorosulfonylbenzoic acid methyl ester; methyl 3-chlorosulfonylbenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-chlorosulfonylbenzoate
Description:	3-chlorosulfonyl-benzoic acid methyl ester (CAS# 63555-50-0) is a useful research chemical.
Molecular Weight:	234.66
Molecular Formula:	C8H7ClO4S
Canonical SMILES:	COC(=O)C1=CC(=CC=C1)S(=O)(=O)Cl
InChI:	InChI=1S/C8H7ClO4S/c1-13-8(10)6-3-2-4-7(5-6)14(9,11)12/h2-5H,1H3
InChI Key:	SQIBNKUEUWGZBH-UHFFFAOYSA-N
Density:	1.431 g/cm³
Appearance:	White to off-white crystlline powder
LogP:	2.48150

Publication Number	Title	Priority Date
EP-3896521-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414
US-2021317268-A1	Polymer, photosensitive resin composition, patterning method, method of forming cured film, interlayer insulating film, surface protective film, and electronic component	20200414
WO-2021157684-A1	Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof	20200206
WO-2021072369-A1	Lpxh targeting compounds, compositions thereof, and methods of making and using the same	20191011
US-2020385391-A1	Hepatitis b antiviral agents	20190604

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

Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.9753576
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.9753576
Rotatable Bond Count:	3
Topological Polar Surface Area:	68.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2