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2,4,6-trimethyl-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline

2,4,6-trimethyl-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline

Formula: C33H43B2NO4

SMILES: CC1=CC(C)=C(N(C2=CC=C(C=C2)B2OC(C)(C)C(C)(C)O2)C2=CC=C(C=C2)B2OC(C)(C)C(C)(C)O2)C(C)=C1

IUPAC: 2,4,6-trimethyl-N,N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline

InChI: InChI=1S/C33H43B2NO4/c1-22-20-23(2)29(24(3)21-22)36(27-16-12-25(13-17-27)34-37-30(4,5)31(6,7)38-34)28-18-14-26(15-19-28)35-39-32(8,9)33(10,11)40-35/h12-21H,1-11H3

Composition: C (73.49%), H (8.04%), B (4.01%), N (2.60%), O (11.87%)

Molar Mass: 539.33

Atom Count: 83

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 539.337819
Formal Charge 0
FSP3 0.45
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey SOMHPPIVNPKQHB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 153.65
Topological Polar Surface Area 40.16
Polarizability 63.32
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime Formula UnitPrice
98% <10 Days C33H43B2NO4 Quote Only