AG000V0M

1308644-71-4 | 3-Oxetanemethanol, 3-fluoro-, 3-(4-methylbenzenesulfonate)

AG000V0M

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CAS Number	1308644-71-4
Catalog Number	AG000V0M(AGN-PC-09SJ72)
Chemical Name	3-Oxetanemethanol, 3-fluoro-, 3-(4-methylbenzenesulfonate)
IUPAC Name	(3-fluorooxetan-3-yl)methyl 4-methylbenzenesulfonate
InChI	InChI=1S/C11H13FO4S/c1-9-2-4-10(5-3-9)17(13,14)16-8-11(12)6-15-7-11/h2-5H,6-8H2,1H3
InChI Key	VKVRJIRYDHEVTB-UHFFFAOYSA-N
MDL Number	MFCD14706189
Molecular Formula	C11H13FO4S
Molecular Weight	260.2819
SMILES	O=S(C1=CC=C(C)C=C1)(OCC2(F)COC2)=O
Synonyms	(3-fluorooxetan-3-yl)methyl 4-methylbenzenesulfonate, 1308644-71-4, AK163859, SCHEMBL16572209, KS-00000SPG, MFCD14706189, ZINC95908826, AKOS024465067, ACN-030365, DS-8349, FCH2818218, AX8294955, CS-0085525, ST24034399, VKVRJIRYDHEVTB-UHFFFAOYSA-N, (3-fluorooxetan-3-yl)methyl 4-methylbenzene-1-sulfonate, Toluene-4-sulfonic acid 3-fluoro-oxetan-3-ylmethyl ester,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.052g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	260.279g/mol
Monoisotopic Mass	260.052g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	61A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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