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1-chloroisoquinolin-6-ol

1-chloroisoquinolin-6-ol

CAS: 850197-67-0

Formula: C9H6ClNO

SMILES: OC1=CC2=CC=NC(Cl)=C2C=C1

IUPAC: 1-chloroisoquinolin-6-ol

InChI: InChI=1S/C9H6ClNO/c10-9-8-2-1-7(12)5-6(8)3-4-11-9/h1-5,12H

Composition: C (60.19%), H (3.37%), Cl (19.74%), N (7.80%), O (8.91%)

Molar Mass: 179.6

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 179.0137915
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CPEBBLYVDQQABZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.2
Topological Polar Surface Area 33.12
Polarizability 19.47
Ring Count 2
Rotatable Bond Count 0

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