6-chloroisoquinoline-3-carboxylic acid

6-chloroisoquinoline-3-carboxylic acid

CAS: 590369-88-3

Formula: C10H6ClNO2

SMILES: OC(=O)C1=NC=C2C=CC(Cl)=CC2=C1

IUPAC: 6-chloroisoquinoline-3-carboxylic acid

InChI: InChI=1S/C10H6ClNO2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-5H,(H,13,14)

Composition: C (57.85%), H (2.91%), Cl (17.08%), N (6.75%), O (15.41%)

Molar Mass: 207.61

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	207.0087061
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZXQQFFKHOIEAQL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.04
Topological Polar Surface Area	50.19
Polarizability	21.14
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	590369-88-3		$273.64-$1,433.76$273.64$464.05$1,433.76