3-chloroisoquinolin-5-ylboronic acid

3-chloroisoquinolin-5-ylboronic acid

CAS: 1429665-44-0

Formula: C9H7BClNO2

SMILES: OB(O)C1=C2C=C(Cl)N=CC2=CC=C1

IUPAC: (3-chloroisoquinolin-5-yl)boronic acid

InChI: InChI=1S/C9H7BClNO2/c11-9-4-7-6(5-12-9)2-1-3-8(7)10(13)14/h1-5,13-14H

Composition: C (52.12%), H (3.40%), B (5.21%), Cl (17.09%), N (6.75%), O (15.43%)

Molar Mass: 207.42

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	207.025836
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DOUXOTRTPAXPCC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.76
Topological Polar Surface Area	53.35
Polarizability	22.07
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<5 Days	1429665-44-0		$108.45-$1,068.07$108.45$263.55$1,068.07