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2-(2-chloro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-chloro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 1061367-22-3

Formula: C13H18BClO3

SMILES: COC1=CC=CC(Cl)=C1B1OC(C)(C)C(C)(C)O1

IUPAC: 2-(2-chloro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)11-9(15)7-6-8-10(11)16-5/h6-8H,1-5H3

Composition: C (58.14%), H (6.76%), B (4.03%), Cl (13.20%), O (17.87%)

Molar Mass: 268.54

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 268.103752
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HEJDFXCWVYENEY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.98
Topological Polar Surface Area 27.69
Polarizability 28.4
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 1061367-22-3 $12.61-$107.19$12.61$32.79$107.19
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