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

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

CAS: 1150271-49-0

Formula: C17H26BNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC=C1CN1CCCC1

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

InChI: InChI=1S/C17H26BNO2/c1-16(2)17(3,4)21-18(20-16)15-10-6-5-9-14(15)13-19-11-7-8-12-19/h5-6,9-10H,7-8,11-13H2,1-4H3

Composition: C (71.09%), H (9.13%), B (3.76%), N (4.88%), O (11.14%)

Molar Mass: 287.21

Atom Count: 47

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	287.205659
Formal Charge	0
FSP3	0.65
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BDUALGDDEAYXJF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.8
Topological Polar Surface Area	21.7
Polarizability	34.02
Ring Count	3
Rotatable Bond Count	3

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