tert-butyl 4-(5-bromo-2-fluorobenzoyl)piperidine-1-carboxylate

tert-butyl 4-(5-bromo-2-fluorobenzoyl)piperidine-1-carboxylate

CAS: 1228631-72-8

Formula: C17H21BrFNO3

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

IUPAC: tert-butyl 4-(5-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)13-10-12(18)4-5-14(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	HYCCBTCAUAYFHF-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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Shanghai AQ BioPharma Co., Ltd.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<8 Days	1228631-72-8		$340.00-$4,896.00$340.00$1,020.00$1,632.00$3,060.00$4,896.00