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

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

CAS: 1626407-50-8

Formula: C15H20BBrO4

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

IUPAC: methyl 4-(bromomethyl)-3-(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)12-8-10(13(18)19-5)6-7-11(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	IZFIPFIGKZZNHR-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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90%	<2 Days	1626407-50-8		$51.35-$163.88$51.35$63.37$86.31$122.36$163.88