4-acetyl-3-fluorophenylboronic acid

4-acetyl-3-fluorophenylboronic acid

CAS: 481725-35-3

Formula: C8H8BFO3

SMILES: CC(=O)C1=C(F)C=C(C=C1)B(O)O

IUPAC: (4-acetyl-3-fluorophenyl)boronic acid

InChI: InChI=1S/C8H8BFO3/c1-5(11)7-3-2-6(9(12)13)4-8(7)10/h2-4,12-13H,1H3

Composition: C (52.81%), H (4.43%), B (5.94%), F (10.44%), O (26.38%)

Molar Mass: 181.96

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.055052
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YHEPWJRNHLTYSL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.22
Topological Polar Surface Area	57.53
Polarizability	17
Ring Count	1
Rotatable Bond Count	2

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Key Organics Ltd

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90%	<2 Days	481725-35-3		$51.35-$86.31$51.35$63.37$86.31

Kinentia Biosciences LLC

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97%	<14 Days	481725-35-3		$94.50-$141.75$94.50$141.75