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2-(benzyloxy)-5-chlorophenylboronic acid

2-(benzyloxy)-5-chlorophenylboronic acid

CAS: 612832-83-4

Formula: C13H12BClO3

SMILES: OB(O)C1=C(OCC2=CC=CC=C2)C=CC(Cl)=C1

IUPAC: [2-(benzyloxy)-5-chlorophenyl]boronic acid

InChI: InChI=1S/C13H12BClO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2

Composition: C (59.48%), H (4.61%), B (4.12%), Cl (13.50%), O (18.28%)

Molar Mass: 262.5

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 262.056802
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SLERXVFZNNSBIX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.48
Topological Polar Surface Area 49.69
Polarizability 27.5
Ring Count 2
Rotatable Bond Count 4

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Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <14 Days 612832-83-4 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 612832-83-4 $94.50-$354.38$94.50$354.38
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