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5-(benzyloxy)-2-chlorophenylboronic acid

5-(benzyloxy)-2-chlorophenylboronic acid

CAS: 1256346-10-7

Formula: C13H12BClO3

SMILES: OB(O)C1=CC(OCC2=CC=CC=C2)=CC=C1Cl

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

InChI: InChI=1S/C13H12BClO3/c15-13-7-6-11(8-12(13)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 OABFVTYDVHFWDQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.48
Topological Polar Surface Area 49.69
Polarizability 27.51
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1256346-10-7 $226.27-$1,472.63$226.27$537.63$848.98$1,472.63
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98% <6 Days 1256346-10-7 $355.35-$2,528.85$355.35$898.15$1,442.10$2,528.85
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