AG00D826

54042-47-6 | (4-CHLOROPHENYL)(PIPERAZIN-1-YL) METHANONE

AG00D826

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CAS Number	54042-47-6
Catalog Number	AG00D826(AGN-PC-0L5CRM)
Chemical Name	(4-CHLOROPHENYL)(PIPERAZIN-1-YL) METHANONE
IUPAC Name	(4-chlorophenyl)-piperazin-1-ylmethanone
InChI	InChI=1S/C11H13ClN2O/c12-10-3-1-9(2-4-10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChI Key	IHSZLKAMJQHQOS-UHFFFAOYSA-N
MDL Number	MFCD01050442
Molecular Formula	C11H13ClN2O
Molecular Weight	224.6867
SMILES	O=C(C1=CC=C(Cl)C=C1)N2CCNCC2
Synonyms	54042-47-6, (4-CHLOROPHENYL)(PIPERAZIN-1-YL)METHANONE, 1-(4-chlorobenzoyl)piperazine, (4-CHLOROPHENYL)(PIPERAZIN-1-YL) METHANONE, AC1N2SRH, AC1Q3INF, Oprea1_743396, 1-(p-chlorobenzoyl) piperazine, SCHEMBL1256167, CTK1G8017, DTXSID70399332, IHSZLKAMJQHQOS-UHFFFAOYSA-N, KS-00001NT7, ZINC5569458, BBL019370, MFCD01050442, STL183438, AKOS000130679, MCULE-2406514984, (4-chlorophenyl)-piperazin-1-ylmethanone, AK326082, BAS 06481308, DS-11821, SC-60384, 1-(4-chlorobenzoyl)piperazine, AldrichCPR, AB0072729, (4-Chloro-phenyl)-piperazin-1-yl-methanone, H2779, EN300-29877, BRD-K02364554-003-01-7, methanone, CID4101484, (4-chlorophenyl)-piperazin-1-yl-methanone,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.072g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.688g/mol
Monoisotopic Mass	224.072g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number