4-chloro-2-(pentyloxy)phenylboronic acid

4-chloro-2-(pentyloxy)phenylboronic acid

CAS: 2096338-13-3

Formula: C11H16BClO3

SMILES: CCCCCOC1=CC(Cl)=CC=C1B(O)O

IUPAC: [4-chloro-2-(pentyloxy)phenyl]boronic acid

InChI: InChI=1S/C11H16BClO3/c1-2-3-4-7-16-11-8-9(13)5-6-10(11)12(14)15/h5-6,8,14-15H,2-4,7H2,1H3

Composition: C (54.48%), H (6.65%), B (4.46%), Cl (14.62%), O (19.79%)

Molar Mass: 242.51

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	242.088102
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FUZPLNFBZCLUBA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.35
Topological Polar Surface Area	49.69
Polarizability	25.3
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2096338-13-3		$39.09-$174.02$39.09$66.83$174.02