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3-(benzyloxy)-4-chlorophenylboronic acid

3-(benzyloxy)-4-chlorophenylboronic acid

CAS: 1007170-24-2

Formula: C13H12BClO3

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

IUPAC: [3-(benzyloxy)-4-chlorophenyl]boronic acid

InChI: InChI=1S/C13H12BClO3/c15-12-7-6-11(14(16)17)8-13(12)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 ZTFFXVLPGHNNKQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.48
Topological Polar Surface Area 49.69
Polarizability 27.53
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1007170-24-2 $156.15-$1,060.29$156.15$343.15$561.00$1,060.29
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98% <7 Days 1007170-24-2 $18.40-$74.75$18.40$29.90$74.75
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1007170-24-2 $20.70-$182.85$20.70$54.05$182.85
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98% <5 Days 1007170-24-2 $26.48-$69.36$26.48$69.36
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