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3-methoxy-4-(1,2,4-oxadiazol-3-yl)phenylboronic acid

3-methoxy-4-(1,2,4-oxadiazol-3-yl)phenylboronic acid

Formula: C9H9BN2O4

SMILES: COC1=C(C=CC(=C1)B(O)O)C1=NOC=N1

IUPAC: [3-methoxy-4-(1,2,4-oxadiazol-3-yl)phenyl]boronic acid

InChI: InChI=1S/C9H9BN2O4/c1-15-8-4-6(10(13)14)2-3-7(8)9-11-5-16-12-9/h2-5,13-14H,1H3

Composition: C (49.14%), H (4.12%), B (4.91%), N (12.73%), O (29.09%)

Molar Mass: 219.99

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 220.065537
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey VRFLJEAHEZQVTQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.09
Topological Polar Surface Area 88.61
Polarizability 21.49
Ring Count 2
Rotatable Bond Count 3

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Kinentia Biosciences LLC
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Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C9H9BN2O4 $107.73-$404.46$107.73$404.46
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