6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline

CAS: 675576-26-8

Formula: C15H18BNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CC2=CC=NC=C2C=C1

IUPAC: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline

InChI: InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-6-5-12-10-17-8-7-11(12)9-13/h5-10H,1-4H3

Composition: C (70.62%), H (7.11%), B (4.24%), N (5.49%), O (12.54%)

Molar Mass: 255.12

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	255.143059
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LFALMDZWCMSBFO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.01
Topological Polar Surface Area	31.35
Polarizability	30.66
Ring Count	3
Rotatable Bond Count	1

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