AG003QEA

515-46-8 | Ethyl benzenesulfonate

AG003QEA

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CAS Number	515-46-8
Catalog Number	AG003QEA(AGN-PC-0JK9LW)
Chemical Name	Ethyl benzenesulfonate
EC Number	208-200-1
IUPAC Name	ethyl benzenesulfonate
InChI	InChI=1S/C8H10O3S/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key	XDRMBCMMABGNMM-UHFFFAOYSA-N
MDL Number	MFCD00025033
Molecular Formula	C8H10O3S
Molecular Weight	186.2282
NSC Number	3217
SMILES	O=S(C1=CC=CC=C1)(OCC)=O
UNII	09424QHU6Q
Synonyms	ETHYL BENZENESULFONATE, 515-46-8, Ethyl benzenesulphonate, Benzenesulfonic acid ethyl ester, Benzenesulfonic acid, ethyl ester, Ethyl benzensulfonate, UNII-09424QHU6Q, CCRIS 9155, EINECS 208-200-1, XDRMBCMMABGNMM-UHFFFAOYSA-N, 09424QHU6Q, AK129066, ethoxysulfonylbenzene, Ethyl benzosulfonate, Ethyl Ester of BSA, ethyl benzene sulfonate, ACMC-1AYRW, AC1L1VIG, SCHEMBL347302, DTXSID7075428, CTK3J2406, KS-00000FPA, XDRMBCMMABGNMM-UHFFFAOYSA-, NSC3217, NSC-3217, ZINC1666652, ACM515468, ANW-31284, Ethyl Ester of Benzenesulphonic Acid, FCH917731, MFCD00025033, STL280533, AKOS006230587, DS-6022, MCULE-2552163515, TRA0055060, AJ-29027, AN-45477, CC-24306, CJ-26976, M407, SY053068, AX8115584, DB-051985, LS-182309, RT-000605, B0032, FT-0622646, MFCD00025033 (97%), C-07514, I01-21511, Ethyl benzenesulfonate, certified reference material, TraceCERT(R), InChI=1/C8H10O3S/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3, ETHYLBENZENESULFONATE, C8H10O3S, C8-H10-O3-S, CID10585, CS-O-07354, 3382-63-6,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.035g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.225g/mol
Monoisotopic Mass	186.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number