5-cyano-1-benzofuran-2-ylboronic acid

5-cyano-1-benzofuran-2-ylboronic acid

CAS: 331833-83-1

Formula: C9H6BNO3

SMILES: OB(O)C1=CC2=CC(=CC=C2O1)C#N

IUPAC: (5-cyano-1-benzofuran-2-yl)boronic acid

InChI: InChI=1S/C9H6BNO3/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-4,12-13H

Composition: C (57.82%), H (3.23%), B (5.78%), N (7.49%), O (25.67%)

Molar Mass: 186.96

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	187.044073
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MXLRCFQFPPZZOR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.42
Topological Polar Surface Area	77.39
Polarizability	19.75
Ring Count	2
Rotatable Bond Count	1

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98.64%	<7 Days	331833-83-1		$42.08-$943.42$42.08$50.49$188.87$943.42

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