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2-ethoxy-5-(ethoxycarbonyl)phenylboronic acid

2-ethoxy-5-(ethoxycarbonyl)phenylboronic acid

Formula: C11H15BO5

SMILES: CCOC(=O)C1=CC(B(O)O)=C(OCC)C=C1

IUPAC: [2-ethoxy-5-(ethoxycarbonyl)phenyl]boronic acid

InChI: InChI=1S/C11H15BO5/c1-3-16-10-6-5-8(11(13)17-4-2)7-9(10)12(14)15/h5-7,14-15H,3-4H2,1-2H3

Composition: C (55.50%), H (6.35%), B (4.54%), O (33.60%)

Molar Mass: 238.05

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.101254
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey SJFJCSSGPLNWRO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.59
Topological Polar Surface Area 75.99
Polarizability 24.19
Ring Count 1
Rotatable Bond Count 6

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C11H15BO5 Quote Only