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

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

CAS: 1256388-92-7

Formula: C15H20BBrO4

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

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

InChI: InChI=1S/C15H20BBrO4/c1-14(2)15(3,4)21-16(20-14)12-7-6-10(13(18)19-5)8-11(12)9-17/h6-8H,9H2,1-5H3

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	IIIKWJORPDUKAI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.59
Topological Polar Surface Area	44.76
Polarizability	32.96
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1256388-92-7		$104.66-$278.68$104.66$278.68