1-{[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidine

1-{[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidine

CAS: 2096341-78-3

Formula: C17H25BClNO2

SMILES: CC1(C)OB(OC1(C)C)C1=C(CN2CCCC2)C(Cl)=CC=C1

IUPAC: 1-{[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidine

InChI: InChI=1S/C17H25BClNO2/c1-16(2)17(3,4)22-18(21-16)14-8-7-9-15(19)13(14)12-20-10-5-6-11-20/h7-9H,5-6,10-12H2,1-4H3

Composition: C (63.48%), H (7.83%), B (3.36%), Cl (11.02%), N (4.35%), O (9.95%)

Molar Mass: 321.65

Atom Count: 47

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	321.166687
Formal Charge	0
FSP3	0.65
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RBBGYSQYNSHKBX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.6
Topological Polar Surface Area	21.7
Polarizability	35.87
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	2096341-78-3		$55.48-$499.36$55.48$143.75$499.36