2-(3-fluoro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-fluoro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 1417301-67-7

Formula: C13H18BFO3

SMILES: COC1=C(F)C=CC=C1B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)9-7-6-8-10(15)11(9)16-5/h6-8H,1-5H3

Composition: C (61.94%), H (7.20%), B (4.29%), F (7.54%), O (19.04%)

Molar Mass: 252.09

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	252.133303
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	OONNDCZIVBSYTG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.39
Topological Polar Surface Area	27.69
Polarizability	26.19
Ring Count	2
Rotatable Bond Count	2

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