5-(tert-Butyl)-2-chlorobenzoxazole - CAS 1027076-19-2

Catalog:	BB000923
Product Name:	5-(tert-Butyl)-2-chlorobenzoxazole
CAS:	1027076-19-2
Synonyms:	5-tert-butyl-2-chloro-1,3-benzoxazole; 5-tert-butyl-2-chloro-1,3-benzoxazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-tert-butyl-2-chloro-1,3-benzoxazole
Description:	5-(tert-Butyl)-2-chlorobenzoxazole (CAS# 1027076-19-2) is a useful research chemical.
Molecular Weight:	209.67
Molecular Formula:	C11H12ClNO
Canonical SMILES:	CC(C)(C)C1=CC2=C(C=C1)OC(=N2)Cl
InChI:	InChI=1S/C11H12ClNO/c1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9/h4-6H,1-3H3
InChI Key:	DSJHZFICMUDISP-UHFFFAOYSA-N
MDL:	MFCD11053025
LogP:	3.77870

Publication Number	Title	Priority Date
AU-2011333772-A1	Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy	20101123
AU-2011333772-B2	Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy	20101123
CA-2817531-A1	Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy	20101123
CN-103209980-A	Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy	20101123
EP-2643318-A1	Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy	20101123

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Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.0607417
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.0607417
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4