AG008IHT

837-12-7 | 1-(4-Bromophenylsulfonyl)-4-methylpiperazine

AG008IHT

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CAS Number	837-12-7
Catalog Number	AG008IHT(AGN-PC-0JVA1V)
Chemical Name	1-(4-Bromophenylsulfonyl)-4-methylpiperazine
IUPAC Name	1-(4-bromophenyl)sulfonyl-4-methylpiperazine
InChI	InChI=1S/C11H15BrN2O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChI Key	CBNDEXDYZUNXBF-UHFFFAOYSA-N
MDL Number	MFCD00595522
Molecular Formula	C11H15BrN2O2S
Molecular Weight	319.2180
SMILES	CN1CCN(S(=O)(C2=CC=C(Br)C=C2)=O)CC1
Synonyms	837-12-7, 1-(4-BROMOPHENYLSULFONYL)-4-METHYLPIPERAZINE, 1-((4-Bromophenyl)sulfonyl)-4-methylpiperazine, 1-[(4-bromophenyl)sulfonyl]-4-methylpiperazine, 1-(4-bromobenzenesulfonyl)-4-methylpiperazine, 1-(4-Bromo-benzenesulfonyl)-4-methyl-piperazine, 1-[(4-bromobenzene)sulfonyl]-4-methylpiperazine, 1-bromo-4-[(4-methylpiperazinyl)sulfonyl]benzene, AC1LEDZP, ACMC-209pt2, AC1Q3ZX2, Cerep_003833, TimTec1_000894, Oprea1_125382, Oprea1_443452, JHICC02070, SCHEMBL1156725, NIOSH/TL0195100, CTK3D1424, HMS537P15, DTXSID40351821, CBNDEXDYZUNXBF-UHFFFAOYSA-N, HMS1536I14, KS-000022GZ, ANW-37716, MFCD00595522, STK090758, ZINC35982134, AKOS003263090, AM87225, AS-2764, MB01334, MCULE-2357622444, NCGC00175009-01, AJ-92316, BAS 00782921, ST010730, LS-110547, TR-025997, TL01951000, V7912, 1-(4-bromophenyl)sulfonyl-4-methylpiperazine, 1-((p-Bromophenyl)sulfonyl)-4-methylpiperazine, 1-[(4-bromophenyl)sulfonyl]4-methylpiperazine, B-5278, N-Methyl-N'-(4-bromobenzenesulfonyl)piperazine, 1-(4-bromo-benzene-sulfonyl)-4-methyl-piperazine, AG-690/10029057, I13-354, SR-01000203347, Piperazine, 1-((p-bromophenyl)sulfonyl)-4-methyl-, Piperazine, 1-[(4-bromophenyl)sulfonyl]-4-methyl-, SR-01000203347-1, BRD-K85972412-001-01-3, Z45507420, C11H15BrN2O2S, CID710729, TL0195100,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	318.004g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	319.217g/mol
Monoisotopic Mass	318.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49A^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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