AG0036KK

715-11-7 | Benzenesulfonic acid, 4-methyl-, 1-methylpropyl ester

AG0036KK

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CAS Number	715-11-7
Catalog Number	AG0036KK(AGN-PC-0085KH)
Chemical Name	Benzenesulfonic acid, 4-methyl-, 1-methylpropyl ester
IUPAC Name	butan-2-yl 4-methylbenzenesulfonate
InChI	InChI=1S/C11H16O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
InChI Key	AYHWQTQILBGWRN-UHFFFAOYSA-N
MDL Number	MFCD24660588
Molecular Formula	C11H16O3S
Molecular Weight	228.3079
SMILES	CCC(OS(=O)(=O)c1ccc(cc1)C)C
Synonyms	SEC-BUTYL 4-METHYLBENZENESULFONATE, 715-11-7, butan-2-yl 4-methylbenzenesulfonate, Benzenesulfonic acid, 4-methyl-, 1-methylpropyl ester, ACMC-20aphc, P-TOLUENESULFONIC ACID SEC-BUTYL ESTER, AC1N3GD8, sec-butyl-p-toluenesulfonate, SCHEMBL92244, CTK2H3652, DTXSID20398931, AYHWQTQILBGWRN-UHFFFAOYSA-N, KS-00000SW6, MFCD24660588, AKOS027324955, CS-W018377, AK318616, DS-11570, 4-methylbenzenesulfonic acid butan-2-yl ester, 4-methylbenzenesulfonic acid, sec-butyl ester, A828339, CID4064321, 1-butan-2-yloxysulfonyl-4-methyl-benzene, (S)-(+)-1-Methylpropyl 4-methylbenzenesulfonate, 50896-54-3,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.082g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.306g/mol
Monoisotopic Mass	228.082g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number