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3-chloro-6-methoxyisoquinoline

3-chloro-6-methoxyisoquinoline

CAS: 82117-20-2

Formula: C10H8ClNO

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

IUPAC: 3-chloro-6-methoxyisoquinoline

InChI: InChI=1S/C10H8ClNO/c1-13-9-3-2-7-6-12-10(11)5-8(7)4-9/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 JVYQLLUOCTXIIY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.68
Topological Polar Surface Area 22.12
Polarizability 21.38
Ring Count 2
Rotatable Bond Count 1

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