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

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

CAS: 685103-98-4

Formula: C15H18BNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CN=CC2=CC=CC=C12

IUPAC: 4-(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)13-10-17-9-11-7-5-6-8-12(11)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 LOMKRPABAXIQJL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.01
Topological Polar Surface Area 31.35
Polarizability 30.67
Ring Count 3
Rotatable Bond Count 1

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