1-[(2-bromophenyl)methyl]-4-(4-nitrobenzoyl)piperazine

1-[(2-bromophenyl)methyl]-4-(4-nitrobenzoyl)piperazine

Formula: C18H18BrN3O3

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)N1CCN(CC2=CC=CC=C2Br)CC1

IUPAC: 1-[(2-bromophenyl)methyl]-4-(4-nitrobenzoyl)piperazine

InChI: InChI=1S/C18H18BrN3O3/c19-17-4-2-1-3-15(17)13-20-9-11-21(12-10-20)18(23)14-5-7-16(8-6-14)22(24)25/h1-8H,9-13H2

Composition: C (53.48%), H (4.49%), Br (19.77%), N (10.39%), O (11.87%)

Molar Mass: 404.264

Atom Count: 43

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	403.053154
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AATNFDCYOQIMOK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.54
Topological Polar Surface Area	66.69
Polarizability	37.42
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18BrN3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00