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

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

CAS: 1400976-17-1

Formula: C14H18BFO4

SMILES: COC(=O)C1=CC=C(F)C=C1B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)11-8-9(16)6-7-10(11)12(17)18-5/h6-8H,1-5H3

Composition: C (60.03%), H (6.48%), B (3.86%), F (6.78%), O (22.85%)

Molar Mass: 280.1

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	280.128217
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RVMVLLXHYRJPOK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.95
Topological Polar Surface Area	44.76
Polarizability	28.12
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1400976-17-1		$50.44-$793.17$50.44$80.70$224.46$793.17