5-chloro-2-isopropoxypyridin-3-ylboronic acid

5-chloro-2-isopropoxypyridin-3-ylboronic acid

CAS: 1217501-41-1

Formula: C8H11BClNO3

SMILES: CC(C)OC1=C(C=C(Cl)C=N1)B(O)O

IUPAC: [5-chloro-2-(propan-2-yloxy)pyridin-3-yl]boronic acid

InChI: InChI=1S/C8H11BClNO3/c1-5(2)14-8-7(9(12)13)3-6(10)4-11-8/h3-5,12-13H,1-2H3

Composition: C (44.60%), H (5.15%), B (5.02%), Cl (16.45%), N (6.50%), O (22.28%)

Molar Mass: 215.44

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.052051
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	NMVYPCNDMPTZQR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.2
Topological Polar Surface Area	62.58
Polarizability	20.78
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1217501-41-1		$249.65-$1,932.65$249.65$623.65$997.65$1,932.65