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2,4-bis(benzyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

2,4-bis(benzyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

Formula: C24H27BN2O4

SMILES: CC1(C)OB(OC1(C)C)C1=CN=C(OCC2=CC=CC=C2)N=C1OCC1=CC=CC=C1

IUPAC: 2,4-bis(benzyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

InChI: InChI=1S/C24H27BN2O4/c1-23(2)24(3,4)31-25(30-23)20-15-26-22(29-17-19-13-9-6-10-14-19)27-21(20)28-16-18-11-7-5-8-12-18/h5-15H,16-17H2,1-4H3

Composition: C (68.91%), H (6.51%), B (2.58%), N (6.70%), O (15.30%)

Molar Mass: 418.3

Atom Count: 58

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 418.206387
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey SHMQAJYFCVOKKX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 114.79
Topological Polar Surface Area 62.7
Polarizability 46.44
Ring Count 4
Rotatable Bond Count 7

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C24H27BN2O4 Quote Only