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2-Oxo-2,3-dihydrobenzoxazole-6-sulfonyl Chloride

2-Oxo-2,3-dihydrobenzoxazole-6-sulfonyl Chloride - CAS 27685-90-1

Catalog:	BB019638
Product Name:	2-Oxo-2,3-dihydrobenzoxazole-6-sulfonyl Chloride
CAS:	27685-90-1
Synonyms:	2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride; 2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride

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Computed Properties

IUPAC Name:	2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride
Description:	2-Oxo-2,3-dihydrobenzoxazole-6-sulfonyl Chloride (CAS# 27685-90-1) is a useful research chemical.
Molecular Weight:	233.63
Molecular Formula:	C7H4ClNO4S
Canonical SMILES:	C1=CC2=C(C=C1S(=O)(=O)Cl)OC(=O)N2
InChI:	InChI=1S/C7H4ClNO4S/c8-14(11,12)4-1-2-5-6(3-4)13-7(10)9-5/h1-3H,(H,9,10)
InChI Key:	IBHCNMJSVDRBSY-UHFFFAOYSA-N
Density:	1.683 g/cm³
LogP:	2.12940

Publication Number	Title	Priority Date
AU-2013334663-A1	Benzoxazolinone compounds with selective activity in voltage-gated sodium channels	20121026
CA-2889378-A1	Benzoxazolinone compounds with selective activity in voltage-gated sodium channels	20121026
CN-104902894-A	Benzoxazolinone compounds with selective activity in voltage-gated sodium channels	20121026
EP-2911668-A1	Benzoxazolinone compounds with selective activity in voltage-gated sodium channels	20121026
JP-2015535251-A	Benzoxazolinone compounds with selective activity in voltage-gated sodium channels	20121026

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Related Functional Groups

Sulfur Compounds

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[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[1879-16-9]
4-Methoxythioanisole
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[88778-21-6]
2-(2-Methoxyethoxy)ethanethiol

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	349
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.9549565
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	232.9549565
Rotatable Bond Count:	1
Topological Polar Surface Area:	80.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2