AG005FU4

70823-04-0 | 4-Tert-Butyl-2,6-Dimethylbenzenesulfonyl Chloride

AG005FU4

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CAS Number	70823-04-0
Catalog Number	AG005FU4(AGN-PC-0L1AUT)
Chemical Name	4-Tert-Butyl-2,6-Dimethylbenzenesulfonyl Chloride
IUPAC Name	4-tert-butyl-2,6-dimethylbenzenesulfonyl chloride
InChI	InChI=1S/C12H17ClO2S/c1-8-6-10(12(3,4)5)7-9(2)11(8)16(13,14)15/h6-7H,1-5H3
InChI Key	HZWYWYSLHBTTRW-UHFFFAOYSA-N
MDL Number	MFCD02018257
Molecular Formula	C12H17ClO2S
Molecular Weight	260.7802
SMILES	CC1=C(S(Cl)(=O)=O)C(C)=CC(C(C)(C)C)=C1
Synonyms	70823-04-0, 4-tert-butyl-2,6-dimethylbenzenesulfonyl chloride, 4-tert-Butyl-2,6-dimethylbenzene-1-sulfonyl chloride, 2,6-Dimethyl-4-tert-butylbenzenesulfonyl chloride, 4-Tert-butyl-2,6-dimethyl-benzenesulfonyl chloride, 4-(tert-Butyl)-2,6-dimethylbenzene-1-sulfonyl chloride, AC1Q2GXB, AC1MZ88Q, SCHEMBL915191, CTK5D3034, DTXSID60397620, HZWYWYSLHBTTRW-UHFFFAOYSA-N, AKOS008965416, ZINC100249184, MCULE-9589881205, NE18967, EN300-10758, 4-t-butyl-2,6-dimethylbenzenesulfonyl chloride, 2,6-dimethyl-4-tert-buylbenzenesulfonyl chloride, 4 -tert.butyl- 2,6 -dimethylbenzenesulphonylchloride, 4-tert-Butyl-2,6-dimethylbenzenesulfonyl chloride, AldrichCPR, CID3868506, 2,6-dimethyl-4-tert-butyl-benzenesulfonyl Chloride,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.064g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	260.776g/mol
Monoisotopic Mass	260.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H314
Precuationary statements	P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

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