tert-butyl 3-(4-bromophenyl)piperazine-1-carboxylate

tert-butyl 3-(4-bromophenyl)piperazine-1-carboxylate

CAS: 886767-69-7

Formula: C15H21BrN2O2

SMILES: CC(C)(C)OC(=O)N1CCNC(C1)C1=CC=C(Br)C=C1

IUPAC: tert-butyl 3-(4-bromophenyl)piperazine-1-carboxylate

InChI: InChI=1/C15H21BrN2O2/c1-15(2,3)20-14(19)18-9-8-17-13(10-18)11-4-6-12(16)7-5-11/h4-7,13,17H,8-10H2,1-3H3

Composition: C (52.80%), H (6.20%), Br (23.42%), N (8.21%), O (9.38%)

Molar Mass: 341.249

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	340.078641
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DTXBJGIIRFTGFW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.35
Topological Polar Surface Area	41.57
Polarizability	32.36
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	886767-69-7		$172.76$172.76