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1-chloroisoquinolin-7-amine

1-chloroisoquinolin-7-amine

Formula: C9H7ClN2

SMILES: NC1=CC2=C(Cl)N=CC=C2C=C1

IUPAC: 1-chloroisoquinolin-7-amine

InChI: InChI=1S/C9H7ClN2/c10-9-8-5-7(11)2-1-6(8)3-4-12-9/h1-5H,11H2

Composition: C (60.52%), H (3.95%), Cl (19.85%), N (15.68%)

Molar Mass: 178.62

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 178.0297759
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WZOHRRUGZFEWGI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.92
Topological Polar Surface Area 38.91
Polarizability 20.01
Ring Count 2
Rotatable Bond Count 0

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