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3,5-diiodo-2-methoxyphenylboronic acid

3,5-diiodo-2-methoxyphenylboronic acid

CAS: 1072951-59-7

Formula: C7H7BI2O3

SMILES: COC1=C(I)C=C(I)C=C1B(O)O

IUPAC: (3,5-diiodo-2-methoxyphenyl)boronic acid

InChI: InChI=1S/C7H7BI2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3,11-12H,1H3

Composition: C (20.82%), H (1.75%), B (2.68%), I (62.86%), O (11.89%)

Molar Mass: 403.75

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 403.85776
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey GLXUCKYNVDXHBW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.79
Topological Polar Surface Area 49.69
Polarizability 26.82
Ring Count 1
Rotatable Bond Count 2

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1072951-59-7 $138.00-$178.25$138.00$178.25
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