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

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

CAS: 473596-87-1

Formula: C15H21BO4

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

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

InChI: InChI=1S/C15H21BO4/c1-10-9-11(13(17)18-6)7-8-12(10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3

Composition: C (65.24%), H (7.67%), B (3.91%), O (23.18%)

Molar Mass: 276.14

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	276.153289
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RDBWYSWPXDSHOE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.78
Topological Polar Surface Area	44.76
Polarizability	30.18
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	473596-87-1		$11.35-$471.61$11.35$23.96$114.75$471.61