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2-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 2246880-24-8

Formula: C15H21BO4

SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC2=C1OCCCO2

IUPAC: 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)11-7-5-8-12-13(11)18-10-6-9-17-12/h5,7-8H,6,9-10H2,1-4H3

Composition: C (65.24%), H (7.67%), B (3.91%), O (23.18%)

Molar Mass: 276.14

Atom Count: 41

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 276.153289
Formal Charge 0
FSP3 0.6
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey VIAFPVWOWXAZPP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.54
Topological Polar Surface Area 36.92
Polarizability 30.15
Ring Count 3
Rotatable Bond Count 1

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