AG002M4R

2307-69-9 | Benzenesulfonic acid, 4-methyl-, 1-methylethyl ester

AG002M4R

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CAS Number	2307-69-9
Catalog Number	AG002M4R(AGN-PC-0JTJZ4)
Chemical Name	Benzenesulfonic acid, 4-methyl-, 1-methylethyl ester
EC Number	218-989-4
IUPAC Name	propan-2-yl 4-methylbenzenesulfonate
InChI	InChI=1S/C10H14O3S/c1-8(2)13-14(11,12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChI Key	SDQCGKJCBWXRMK-UHFFFAOYSA-N
MDL Number	MFCD00968877
Molecular Formula	C10H14O3S
Molecular Weight	214.2814
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OC(C)C
UNII	14TSY160FA
Synonyms	Isopropyl 4-methylbenzenesulfonate, 2307-69-9, Isopropyl p-Toluenesulfonate, isopropyl tosylate, Isopropyl toluene-4-sulphonate, UNII-14TSY160FA, Isopropyl toluene-4-sulfonate, Isopropyl p-Tosylate, Benzenesulfonic acid, 4-methyl-, 1-methylethyl ester, isopropyl-p-toluene sulphonate, 14TSY160FA, SDQCGKJCBWXRMK-UHFFFAOYSA-N, propan-2-yl 4-methylbenzenesulfonate, AC1LCCA0, Isopropylp-toluenesulfonate, SCHEMBL143705, Jsp004657, CTK1A7402, KS-00000FYM, Isopropyl 4-methylbenzenesulphonate, p-Toluene Sulfonyl Isopropyl Ester, methylethyl 4-methylbenzenesulfonate, ZINC5415963, Isopropyl 4-methylbenzenesulfonate #, Prop-2-yl 4-methylbenzenesulphonate, ANW-45667, MFCD00968877, p-Toluenesulfonic acid isopropyl ester, AKOS007930028, AM86784, CS-W001243, MCULE-4525826437, VZ32440, Toluene-4-sulfonic acid isopropyl ester, propan-2-yl 4-methylbenzene-1-sulfonate, AJ-53986, AK-88529, CJ-12600, DS-18481, SC-92878, AB0023602, AB1008318, DB-046069, p-toluenesulfonic acid, 1-methylethyl ester, TR-038713, 4CH-003572, FT-0634193, ST24030802, ST51061594, W4690, 4-methylbenzenesulfonic acid propan-2-yl ester, M-7991, A816558, W-107433, Isopropyl toluene-4-sulphonate; Isopropyl p-toluenesulfonate, CCRIS 9149, Isopropyl4-methylbenzenesulfonate, C10H14O3S, EINECS 218-989-4, C10-H14-O3-S, CID598985, Isopropyl 4-toluenesulfonate, 90% - 1G 1g,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.066g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.279g/mol
Monoisotopic Mass	214.066g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number