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tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate

tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate

CAS: 480438-74-2

Formula: C17H25BO5

SMILES: CC(C)(C)OC(=O)OC1=CC=CC(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl carbonate

InChI: InChI=1S/C17H25BO5/c1-15(2,3)21-14(19)20-13-10-8-9-12(11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3

Composition: C (63.77%), H (7.87%), B (3.38%), O (24.98%)

Molar Mass: 320.19

Atom Count: 48

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 320.179504
Formal Charge 0
FSP3 0.59
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey UPAKXEPDVAHKPP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.27
Topological Polar Surface Area 53.99
Polarizability 34.64
Ring Count 2
Rotatable Bond Count 5

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