AG002RAP

259808-63-4 | 4-(4-BOC-piperazinosulfonyl)bromobenzene

AG002RAP

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CAS Number	259808-63-4
Catalog Number	AG002RAP(AGN-PC-0147Q0)
Chemical Name	4-(4-BOC-piperazinosulfonyl)bromobenzene
IUPAC Name	tert-butyl 4-(4-bromophenyl)sulfonylpiperazine-1-carboxylate
InChI	InChI=1S/C15H21BrN2O4S/c1-15(2,3)22-14(19)17-8-10-18(11-9-17)23(20,21)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3
InChI Key	AQKVPXFKSGCQHL-UHFFFAOYSA-N
MDL Number	MFCD09746327
Molecular Formula	C15H21BrN2O4S
Molecular Weight	405.3072
SMILES	O=C(N1CCN(S(=O)(C2=CC=C(Br)C=C2)=O)CC1)OC(C)(C)C
Synonyms	259808-63-4, 4-(4-BOC-piperazinosulfonyl)bromobenzene, tert-Butyl 4-((4-bromophenyl)sulfonyl)piperazine-1-carboxylate, tert-butyl 4-(4-bromophenylsulfonyl)piperazine-1-carboxylate, 1-BOC-4-[(4-BROMOBENZENE)SULFONYL]PIPERAZINE, tert-butyl 4-(4-bromobenzenesulfonyl)piperazine-1-carboxylate, tert-Butyl 4-[(4-bromophenyl)sulfonyl]piperazine-1-carboxylate, ACMC-209gnu, C15H21BrN2O4S, SCHEMBL710366, CTK4F6880, DTXSID20586578, AQKVPXFKSGCQHL-UHFFFAOYSA-N, KS-000022HH, ANW-25864, MFCD09746327, ZINC40456674, AKOS006691648, AM86813, AS-2784, MB07554, QC-7809, RTR-011772, 4-(4-BROMO-BENZENESULFONYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, AJ-103289, ST2407673, TR-011772, V4739, C-2025, I01-11279, 1-(4-Bromophenylsulfonyl)-4-(tert-butoxycarbonyl)piperazine, 1-(4-bromobenzenesulfonyl)-4-(tert-butoxycarbonyl)piperazine, 1-(tert-Butoxycarbonyl)-4-(4-bromo-benzenesulfonyl)-piperazine, tert-butyl 4-(4-bromophenyl)sulfonylpiperazine-1-carboxylate, tert-Butyl 4-((4-bromophenyl)sulfonyl)-piperazine-1-carboxylate, tert-Butyl 4-(4-bromobenzene-1-sulfonyl)piperazine-1-carboxylate, tert-butyl 4-[(4-bromobenzene)sulfonyl]piperazine-1-carboxylate, 1-Piperazinecarboxylic acid, 4-[(4-bromophenyl)sulfonyl]-, 1,1-dimethylethyl ester, tert-Butyl4-((4-bromophenyl)sulfonyl)piperazine-1-carboxylate,

Complexity	511
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	404.041g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	405.307g/mol
Monoisotopic Mass	404.041g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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