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

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

CAS: 1052647-30-9

Formula: C16H23BO4

SMILES: COC(=O)C1=CC(B2OC(C)(C)C(C)(C)O2)=C(C)C=C1C

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

InChI: InChI=1S/C16H23BO4/c1-10-8-11(2)13(9-12(10)14(18)19-7)17-20-15(3,4)16(5,6)21-17/h8-9H,1-7H3

Composition: C (66.23%), H (7.99%), B (3.73%), O (22.05%)

Molar Mass: 290.17

Atom Count: 44

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	290.168939
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JCIFOSNTFDNPIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.82
Topological Polar Surface Area	44.76
Polarizability	31.95
Ring Count	2
Rotatable Bond Count	3

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97%	<2 Days	1052647-30-9		$221.95-$5,612.00$221.95$327.75$540.50$966.00$1,587.00$5,612.00