1-chloro-7-methoxyisoquinoline

1-chloro-7-methoxyisoquinoline

CAS: 53533-54-3

Formula: C10H8ClNO

SMILES: COC1=CC2=C(Cl)N=CC=C2C=C1

IUPAC: 1-chloro-7-methoxyisoquinoline

InChI: InChI=1S/C10H8ClNO/c1-13-8-3-2-7-4-5-12-10(11)9(7)6-8/h2-6H,1H3

Composition: C (62.03%), H (4.16%), Cl (18.31%), N (7.23%), O (8.26%)

Molar Mass: 193.63

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	193.0294416
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SSBMOLGNIQJGPF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.68
Topological Polar Surface Area	22.12
Polarizability	21.39
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	53533-54-3		$172.76$172.76