1-[(2-bromophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine

1-[(2-bromophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine

Formula: C18H20BrN3O2

SMILES: [O-][N+](=O)C1=CC(CN2CCN(CC3=CC=CC=C3Br)CC2)=CC=C1

IUPAC: 1-[(2-bromophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine

InChI: InChI=1S/C18H20BrN3O2/c19-18-7-2-1-5-16(18)14-21-10-8-20(9-11-21)13-15-4-3-6-17(12-15)22(23)24/h1-7,12H,8-11,13-14H2

Composition: C (55.40%), H (5.17%), Br (20.47%), N (10.77%), O (8.20%)

Molar Mass: 390.281

Atom Count: 44

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	389.07389
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	JNHBXCCBHXJGLL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.21
Topological Polar Surface Area	49.62
Polarizability	37.87
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20BrN3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00