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N-(2-Chloroethyl)methanesulfonamide

N-(2-Chloroethyl)methanesulfonamide - CAS 21896-59-3

Catalog:	BB017190
Product Name:	N-(2-Chloroethyl)methanesulfonamide
CAS:	21896-59-3
Synonyms:	N-(2-chloroethyl)methanesulfonamide; N-(2-chloroethyl)methanesulfonamide

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Computed Properties

IUPAC Name:	N-(2-chloroethyl)methanesulfonamide
Description:	N-(2-Chloroethyl)methanesulfonamide (CAS# 21896-59-3) is a useful research chemical.
Molecular Weight:	157.62
Molecular Formula:	C3H8ClNO2S
Canonical SMILES:	CS(=O)(=O)NCCCl
InChI:	InChI=1S/C3H8ClNO2S/c1-8(6,7)5-3-2-4/h5H,2-3H2,1H3
InChI Key:	HLEGMLHPZDVLQL-UHFFFAOYSA-N
Boiling Point:	245.8 °C at 760 mmHg
Density:	1.321 g/cm³
LogP:	1.24610

Publication Number	Title	Priority Date
WO-2020134921-A1	Amino quinazolinone, amino isoquinolone derivatives and application thereof	20181225
US-2017020837-A1	Fumarate compounds, pharmaceutical compositions thereof, and methods of use	20150721
US-2017022153-A1	Fumarate compounds, pharmaceutical compositions thereof, and methods of use	20150721
JP-2017523213-A	Quinolone derivatives as antibacterial agents	20140806
US-10160726-B2	Quinolone derivatives as antibacterials	20140806

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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:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.9964274
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.9964274
Rotatable Bond Count:	3
Topological Polar Surface Area:	54.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1