AG008I2X

84449-65-0 | 4-(6-((Methylsulfonyl)oxy)benzo[b]thiophen-2-yl)phenyl methanesulfonate

AG008I2X

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CAS Number	84449-65-0
Catalog Number	AG008I2X(AGN-PC-00LVDH)
Chemical Name	4-(6-((Methylsulfonyl)oxy)benzo[b]thiophen-2-yl)phenyl methanesulfonate
IUPAC Name	[4-(6-methylsulfonyloxy-1-benzothiophen-2-yl)phenyl] methanesulfonate
InChI	InChI=1S/C16H14O6S3/c1-24(17,18)21-13-6-3-11(4-7-13)15-9-12-5-8-14(10-16(12)23-15)22-25(2,19)20/h3-10H,1-2H3
InChI Key	OPKQAMCWGICRGH-UHFFFAOYSA-N
MDL Number	MFCD16620994
Molecular Formula	C16H14O6S3
Molecular Weight	398.4738
SMILES	CS(=O)(=O)Oc1ccc(cc1)c2cc3ccc(OS(=O)(=O)C)cc3s2
Synonyms	84449-65-0, 4-(6-((Methylsulfonyl)oxy)benzo[b]thiophen-2-yl)phenyl methanesulfonate, 2-[4-[(METHYLSULFONYL)OXY]PHENYL]-BENZO[B]THIOPHENE-6-OL 6-METHANESULFONATE, OPKQAMCWGICRGH-UHFFFAOYSA-N, Raloxifene Impurity 3, SCHEMBL6837014, CTK8B8363, DTXSID50534769, C16H14O6S3, 2974AC, ANW-60220, MFCD16620994, ZINC39473703, AKOS016003294, DS-3708, KS-00000Q67, AK101396, AJ-100344, AX8232935, TC-148965, FT-0727819, 6-methanesulfonyloxy-2-(4-methanesulfonyloxyphenyl)benzo[b]thiophene, 6-methylsulfonyloxy-2-[4-(methylsulfonyloxy)phenyl]benzothiophene, 4-(6-(methylsulfonyloxy)benzo[b]thiophen-2-yl)phenyl methanesulfonate, 4-{6-[(Methanesulfonyl)oxy]-1-benzothiophen-2-yl}phenyl methanesulfonate, 6-methanesulfonyloxy-2-(4-methanesulfonyloxyphenyl)-benzo[b]thiophene, Methanesulfonic acid 2-[4-(methylsulfonyloxy)phenyl]benzo[b]thiophene-6-yl ester, EC 806-588-2, 4-(6-((Methylsulfonyl)oxy)benzo[b]thiophen-2-yl)phenylmethanesulfonate, 4-(6-(Methylsulfonyloxy)benzo(b)thiophen-2-yl)phenyl methanesulfonate,

Complexity	655
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	397.995g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	398.462g/mol
Monoisotopic Mass	397.995g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	132A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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