3-(dihydroxyboranyl)-5-fluorophenoxyacetic acid

3-(dihydroxyboranyl)-5-fluorophenoxyacetic acid

CAS: 913835-56-0

Formula: C8H8BFO5

SMILES: OB(O)C1=CC(F)=CC(OCC(O)=O)=C1

IUPAC: 2-[3-(dihydroxyboranyl)-5-fluorophenoxy]acetic acid

InChI: InChI=1S/C8H8BFO5/c10-6-1-5(9(13)14)2-7(3-6)15-4-8(11)12/h1-3,13-14H,4H2,(H,11,12)

Composition: C (44.91%), H (3.77%), B (5.05%), F (8.88%), O (37.39%)

Molar Mass: 213.96

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.044882
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	AZIUTOMDLIOGHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.37
Topological Polar Surface Area	86.99
Polarizability	18.29
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	913835-56-0		$319.77-$2,875.13$319.77$771.38$2,875.13