2-(2-bromo-6-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-bromo-6-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Formula: C13H17BBrFO3

SMILES: COC1=C(Br)C(B2OC(C)(C)C(C)(C)O2)=C(F)C=C1

IUPAC: 2-(2-bromo-6-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C13H17BBrFO3/c1-12(2)13(3,4)19-14(18-12)10-8(16)6-7-9(17-5)11(10)15/h6-7H,1-5H3

Composition: C (47.17%), H (5.18%), B (3.27%), Br (24.14%), F (5.74%), O (14.50%)

Molar Mass: 330.99

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	330.043816
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	OPNATYYKLBZSKV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.02
Topological Polar Surface Area	27.69
Polarizability	29.07
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H17BBrFO3		Quote Only