AG00EKLU

60682-95-3 | 1-(diethoxyphosphorylMethylsulfonyl)-4-Methylbenzene

AG00EKLU

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CAS Number	60682-95-3
Catalog Number	AG00EKLU(AGN-PC-000TJ8)
Chemical Name	1-(diethoxyphosphorylMethylsulfonyl)-4-Methylbenzene
IUPAC Name	1-(diethoxyphosphorylmethylsulfonyl)-4-methylbenzene
InChI	InChI=1S/C12H19O5PS/c1-4-16-18(13,17-5-2)10-19(14,15)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChI Key	LBFOEWHXHLPENT-UHFFFAOYSA-N
MDL Number	MFCD28369627
Molecular Formula	C12H19O5PS
Molecular Weight	306.3150
SMILES	O=S(CP(OCC)(OCC)=O)(C1=CC=C(C)C=C1)=O
Synonyms	60682-95-3, Diethyl [(4-methylbenzenesulfonyl)methyl]-phosphonate, 1-(diethoxyphosphorylMethylsulfonyl)-4-Methylbenzene, AK194413, Diethyl tosylmethylphosphonate, SCHEMBL1374250, CTK2E9500, DTXSID10557919, KS-000001XG, MFCD28369627, ZINC34256732, AKOS026672173, A1-01393, diethyl [(4-methylbenzenesulfonyl)methyl]phosphonate, Diethyl [(4-methylbenzene-1-sulfonyl)methyl]phosphonate, Phosphonic acid, [[(4-methylphenyl)sulfonyl]methyl]-, diethyl ester,

Complexity	396
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.069g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	306.313g/mol
Monoisotopic Mass	306.069g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	78A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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