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10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.6.1.0²,?.0?,¹?.0¹³,¹?]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene

10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.6.1.0²,?.0?,¹?.0¹³,¹?]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene

Formula: C24H22BNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CC2=C3N(C4=C(C=CC=C4)C3=C1)C1=C2C=CC=C1

IUPAC: 10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.6.1.0²,?.0?,¹?.0¹³,¹?]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene

InChI: InChI=1S/C24H22BNO2/c1-23(2)24(3,4)28-25(27-23)15-13-18-16-9-5-7-11-20(16)26-21-12-8-6-10-17(21)19(14-15)22(18)26/h5-14H,1-4H3

Composition: C (78.49%), H (6.04%), B (2.94%), N (3.81%), O (8.71%)

Molar Mass: 367.26

Atom Count: 50

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 367.174359
Formal Charge 0
FSP3 0.25
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PYYNSQKMSZMHRM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 108.22
Topological Polar Surface Area 22.87
Polarizability 47.94
Ring Count 6
Rotatable Bond Count 1

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Purity LeadTime Formula UnitPrice
98% <10 Days C24H22BNO2 Quote Only