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

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

CAS: 2377610-87-0

Formula: C15H20BBrO4

SMILES: COC(=O)C1=CC(=CC(Br)=C1C)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C15H20BBrO4/c1-9-11(13(18)19-6)7-10(8-12(9)17)16-20-14(2,3)15(4,5)21-16/h7-8H,1-6H3

Composition: C (50.75%), H (5.68%), B (3.04%), Br (22.51%), O (18.03%)

Molar Mass: 355.04

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	354.063802
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KZIROWUEKIPSJL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	80.4
Topological Polar Surface Area	44.76
Polarizability	32.98
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	2377610-87-0		$109.25-$1,104.00$109.25$126.50$149.50$195.50$276.00$1,104.00