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1,7-dichloro-4-methoxyisoquinoline

1,7-dichloro-4-methoxyisoquinoline

CAS: 630423-36-8

Formula: C10H7Cl2NO

SMILES: COC1=CN=C(Cl)C2=CC(Cl)=CC=C12

IUPAC: 1,7-dichloro-4-methoxyisoquinoline

InChI: InChI=1S/C10H7Cl2NO/c1-14-9-5-13-10(12)8-4-6(11)2-3-7(8)9/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 HOBCGPSQZNVUSJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.49
Topological Polar Surface Area 22.12
Polarizability 23.25
Ring Count 2
Rotatable Bond Count 1

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