1-(3-bromophenyl)-2-(piperazin-1-yl)ethane-1,2-dione hydrochloride

1-(3-bromophenyl)-2-(piperazin-1-yl)ethane-1,2-dione hydrochloride

Formula: C12H14BrClN2O2

SMILES: Cl.BrC1=CC=CC(=C1)C(=O)C(=O)N1CCNCC1

IUPAC: 1-(3-bromophenyl)-2-(piperazin-1-yl)ethane-1,2-dione hydrochloride

InChI: InChI=1S/C12H13BrN2O2.ClH/c13-10-3-1-2-9(8-10)11(16)12(17)15-6-4-14-5-7-15;/h1-3,8,14H,4-7H2;1H

Composition: C (43.20%), H (4.23%), Br (23.95%), Cl (10.63%), N (8.40%), O (9.59%)

Molar Mass: 333.61

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	331.992718
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QHWUCUKOLPCIEB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.25
Topological Polar Surface Area	49.41
Polarizability	26.27
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H14BrClN2O2		Quote Only