3-chloro-4-(cyclopentyloxy)-5-fluorophenylboronic acid

3-chloro-4-(cyclopentyloxy)-5-fluorophenylboronic acid

Formula: C11H13BClFO3

SMILES: OB(O)C1=CC(F)=C(OC2CCCC2)C(Cl)=C1

IUPAC: [3-chloro-4-(cyclopentyloxy)-5-fluorophenyl]boronic acid

InChI: InChI=1S/C11H13BClFO3/c13-9-5-7(12(15)16)6-10(14)11(9)17-8-3-1-2-4-8/h5-6,8,15-16H,1-4H2

Composition: C (51.11%), H (5.07%), B (4.18%), Cl (13.71%), F (7.35%), O (18.57%)

Molar Mass: 258.48

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.06303
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IUFUIECEFIREMD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.5
Topological Polar Surface Area	49.69
Polarizability	24.33
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C11H13BClFO3		Quote Only