3-chloro-5-nitroisoquinoline

3-chloro-5-nitroisoquinoline

CAS: 10296-47-6

Formula: C9H5ClN2O2

SMILES: [O-][N+](=O)C1=C2C=C(Cl)N=CC2=CC=C1

IUPAC: 3-chloro-5-nitroisoquinoline

InChI: InChI=1S/C9H5ClN2O2/c10-9-4-7-6(5-11-9)2-1-3-8(7)12(13)14/h1-5H

Composition: C (51.82%), H (2.42%), Cl (16.99%), N (13.43%), O (15.34%)

Molar Mass: 208.6

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	208.0039551
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NPORMNSYOVFNQW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.54
Topological Polar Surface Area	56.03
Polarizability	20.74
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	10296-47-6		$302.64-$1,558.60$302.64$935.66$1,558.60