AG006X80

226398-62-5 | 1-Boc-4-(4-bromobenzenesulfonyl)piperidine

AG006X80

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CAS Number	226398-62-5
Catalog Number	AG006X80(AGN-PC-0NDCHT)
Chemical Name	1-Boc-4-(4-bromobenzenesulfonyl)piperidine
IUPAC Name	tert-butyl 4-(4-bromophenyl)sulfonylpiperidine-1-carboxylate
InChI	InChI=1S/C16H22BrNO4S/c1-16(2,3)22-15(19)18-10-8-14(9-11-18)23(20,21)13-6-4-12(17)5-7-13/h4-7,14H,8-11H2,1-3H3
InChI Key	YRZKFSDUCCEPDV-UHFFFAOYSA-N
MDL Number	MFCD06657079
Molecular Formula	C16H22BrNO4S
Molecular Weight	404.3192
SMILES	CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)C1=CC=C(Br)C=C1
Synonyms	226398-62-5, 1-Boc-4-(4-Bromobenzenesulfonyl)piperidine, tert-butyl 4-(4-bromobenzenesulfonyl)piperidine-1-carboxylate, 4-(4-bromo-benzenesulfonyl)-piperidine-1-carboxylic acid tert-butyl ester, Tert-butyl 4-(4-bromophenyl)sulfonylpiperidine-1-carboxylate, tert-butyl 4-(4-bromophenylsulfonyl)piperidine-1-carboxylate, tert-butyl 4-((4-bromophenyl)sulfonyl)piperidine-1-carboxylate, 1-N-Boc-4-(4-bromobenzenesulfonyl)piperidine, C16H22BrNO4S, SCHEMBL267388, CTK8B8109, DTXSID60449431, YRZKFSDUCCEPDV-UHFFFAOYSA-N, KS-000008LP, 1383AB, ANW-59355, MFCD06657079, ZINC40443189, AKOS016002268, AN-3883, CB-3286, QC-7811, SB22735, ACM226398625, AK-38531, AS-34964, OR350050, SC-58625, N-BOC 4-(4-bromophenylsulfonyl)piperidine, AB0097034, AJ-102501, AX8163236, TC-148100, 1-Boc-4-(4-Bromobenzenesulfonyl);piperidine, CS-0048259, FT-0744811, 398B625, 4-(4-bromo-benzenesulfonyl)-piperidine-1-carboxyli, tert-Butyl 4-(4-bromobenzene-1-sulfonyl)piperidine-1-carboxylate, 4-(4-bromo-benzenesulfonyl)piperidine-1-carboxylic acid tert-butyl ester, 1-Piperidinecarboxylic acid, 4-[(4-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester, 4-[(4-Bromophenyl)sulfonyl]-1-piperidinecarboxylic acid 1,1-dimethylethyl ester, AldrichCPR, CID10949472,

Complexity	507
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	403.045g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	404.319g/mol
Monoisotopic Mass	403.045g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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