tert-butyl 4-(4-bromo-2-fluorobenzoyl)piperidine-1-carboxylate

tert-butyl 4-(4-bromo-2-fluorobenzoyl)piperidine-1-carboxylate

CAS: 1159826-04-6

Formula: C17H21BrFNO3

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C1=CC=C(Br)C=C1F

IUPAC: tert-butyl 4-(4-bromo-2-fluorobenzoyl)piperidine-1-carboxylate

InChI: InChI=1S/C17H21BrFNO3/c1-17(2,3)23-16(22)20-8-6-11(7-9-20)15(21)13-5-4-12(18)10-14(13)19/h4-5,10-11H,6-9H2,1-3H3

Composition: C (52.86%), H (5.48%), Br (20.69%), F (4.92%), N (3.63%), O (12.43%)

Molar Mass: 386.261

Atom Count: 44

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	385.068885
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZDFQZYWERRIWKC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.73
Topological Polar Surface Area	46.61
Polarizability	34.39
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1159826-04-6		$107.19-$409.83$107.19$163.93$409.83