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1-(2-Bromoethyl)-4-(methylsulfonyl)benzene

1-(2-Bromoethyl)-4-(methylsulfonyl)benzene - CAS 214614-62-7

Catalog:	BB016879
Product Name:	1-(2-Bromoethyl)-4-(methylsulfonyl)benzene
CAS:	214614-62-7
Synonyms:	1-(2-bromoethyl)-4-methylsulfonylbenzene; 1-(2-bromoethyl)-4-methylsulfonylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-(2-bromoethyl)-4-methylsulfonylbenzene
Description:	1-(2-Bromoethyl)-4-(methylsulfonyl)benzene (CAS# 214614-62-7) is a useful research chemical.
Molecular Weight:	263.15
Molecular Formula:	C9H11BrO2S
Canonical SMILES:	CS(=O)(=O)C1=CC=C(C=C1)CCBr
InChI:	InChI=1S/C9H11BrO2S/c1-13(11,12)9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3
InChI Key:	QXLYKMSRNVSHHJ-UHFFFAOYSA-N
LogP:	3.10830

Publication Number	Title	Priority Date
CA-2848557-A1	Tetrahydrotriazolopyrimidine derivatives as human neutrophil elastase inhibitors	20110914
CN-103827117-B	Tetrahydrochysene triazolopyrimidine derivative as people's inhibitors of neutrophil elastase	20110914
EP-2766366-A1	Tetrahydrotriazolopyrimidine derivatives as human neutrophil elastase inhibitors	20110914
EP-2766366-B1	Tetrahydrotriazolopyrimidine derivatives as human neutrophil elastase inhbitors	20110914
KR-20140060513-A	A human neutrophil elastase inhibitor, tetrahydrotriazolopyrimidine derivative	20110914

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Sulfur Compounds

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Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.96631
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.96631
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2