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

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

CAS: 937014-80-7

Formula: C15H21BrN2O4S

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C1=CC(Br)=CC=C1

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

InChI: InChI=1S/C15H21BrN2O4S/c1-15(2,3)22-14(19)17-7-9-18(10-8-17)23(20,21)13-6-4-5-12(16)11-13/h4-6,11H,7-10H2,1-3H3

Composition: C (44.45%), H (5.22%), Br (19.71%), N (6.91%), O (15.79%), S (7.91%)

Molar Mass: 405.31

Atom Count: 44

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	404.040541
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	OCPBBZQADAOTDT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.38
Topological Polar Surface Area	66.92
Polarizability	36.27
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	937014-80-7		$22.70-$88.27$22.70$88.27