1,3-dichloro-6-methoxyisoquinoline

1,3-dichloro-6-methoxyisoquinoline

CAS: 24623-39-0

Formula: C10H7Cl2NO

SMILES: COC1=CC2=CC(Cl)=NC(Cl)=C2C=C1

IUPAC: 1,3-dichloro-6-methoxyisoquinoline

InChI: InChI=1S/C10H7Cl2NO/c1-14-7-2-3-8-6(4-7)5-9(11)13-10(8)12/h2-5H,1H3

Composition: C (52.66%), H (3.09%), Cl (31.09%), N (6.14%), O (7.01%)

Molar Mass: 228.07

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	226.9904692
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MDGSCLLECOTDSW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.55
Topological Polar Surface Area	22.12
Polarizability	23.32
Ring Count	2
Rotatable Bond Count	1

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