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1,6-dichloroisoquinoline

1,6-dichloroisoquinoline

CAS: 630421-73-7

Formula: C9H5Cl2N

SMILES: ClC1=CC2=CC=NC(Cl)=C2C=C1

IUPAC: 1,6-dichloroisoquinoline

InChI: InChI=1S/C9H5Cl2N/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H

Composition: C (54.58%), H (2.54%), Cl (35.80%), N (7.07%)

Molar Mass: 198.05

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 196.9799046
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey JTCCQIDTKFGEQY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.02
Topological Polar Surface Area 12.89
Polarizability 20.73
Ring Count 2
Rotatable Bond Count 0

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