3-bromo-2-chloropyridin-4-ylboronic acid

3-bromo-2-chloropyridin-4-ylboronic acid

CAS: 1072944-16-1

Formula: C5H4BBrClNO2

SMILES: OB(O)C1=CC=NC(Cl)=C1Br

IUPAC: (3-bromo-2-chloropyridin-4-yl)boronic acid

InChI: InChI=1S/C5H4BBrClNO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2,10-11H

Composition: C (25.42%), H (1.71%), B (4.58%), Br (33.82%), Cl (15.00%), N (5.93%), O (13.54%)

Molar Mass: 236.26

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.920699
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FHSDUAXKXSMERY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.94
Topological Polar Surface Area	53.35
Polarizability	17.66
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1072944-16-1		$23.96-$203.02$23.96$61.79$203.02