2-(3-butoxy-5-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-butoxy-5-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 1218789-45-7

Formula: C16H24BClO3

SMILES: CCCCOC1=CC(=CC(Cl)=C1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C16H24BClO3/c1-6-7-8-19-14-10-12(9-13(18)11-14)17-20-15(2,3)16(4,5)21-17/h9-11H,6-8H2,1-5H3

Composition: C (61.87%), H (7.79%), B (3.48%), Cl (11.41%), O (15.45%)

Molar Mass: 310.63

Atom Count: 45

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	310.150702
Formal Charge	0
FSP3	0.62
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZIURVWZANRFZEF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	80.85
Topological Polar Surface Area	27.69
Polarizability	33.91
Ring Count	2
Rotatable Bond Count	5

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