4,4,5,5-tetramethyl-2-(3-phenoxyphenyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(3-phenoxyphenyl)-1,3,2-dioxaborolane

CAS: 864772-18-9

Formula: C18H21BO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC(OC2=CC=CC=C2)=CC=C1

IUPAC: 4,4,5,5-tetramethyl-2-(3-phenoxyphenyl)-1,3,2-dioxaborolane

InChI: InChI=1S/C18H21BO3/c1-17(2)18(3,4)22-19(21-17)14-9-8-12-16(13-14)20-15-10-6-5-7-11-15/h5-13H,1-4H3

Composition: C (73.00%), H (7.15%), B (3.65%), O (16.21%)

Molar Mass: 296.17

Atom Count: 43

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	296.158375
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	TUDMWVDLOSLEPT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	81.95
Topological Polar Surface Area	27.69
Polarizability	34.35
Ring Count	3
Rotatable Bond Count	3

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