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1-benzofuran-3-ylboronic acid

1-benzofuran-3-ylboronic acid

CAS: 317830-83-4

Formula: C8H7BO3

SMILES: OB(O)C1=COC2=CC=CC=C12

IUPAC: (1-benzofuran-3-yl)boronic acid

InChI: InChI=1S/C8H7BO3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H

Composition: C (59.33%), H (4.36%), B (6.67%), O (29.64%)

Molar Mass: 161.95

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 162.048824
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey DFUGYZQSDFQVPU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.44
Topological Polar Surface Area 53.6
Polarizability 17.92
Ring Count 2
Rotatable Bond Count 1

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