methyl 2,6-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

methyl 2,6-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Formula: C14H17BF2O4

SMILES: COC(=O)C1=C(F)C=CC(B2OC(C)(C)C(C)(C)O2)=C1F

IUPAC: methyl 2,6-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

InChI: InChI=1S/C14H17BF2O4/c1-13(2)14(3,4)21-15(20-13)8-6-7-9(16)10(11(8)17)12(18)19-5/h6-7H,1-5H3

Composition: C (56.41%), H (5.75%), B (3.63%), F (12.75%), O (21.47%)

Molar Mass: 298.09

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	298.118795
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	OMQPUDYGRISXBF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.17
Topological Polar Surface Area	44.76
Polarizability	27.88
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C14H17BF2O4		Quote Only