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4-fluoroisoquinoline

4-fluoroisoquinoline

CAS: 394-67-2

Formula: C9H6FN

SMILES: FC1=CN=CC2=CC=CC=C12

IUPAC: 4-fluoroisoquinoline

InChI: InChI=1S/C9H6FN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H

Composition: C (73.46%), H (4.11%), F (12.91%), N (9.52%)

Molar Mass: 147.152

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 147.04842736
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey VFFQGPWQVYUFLV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.57
Topological Polar Surface Area 12.89
Polarizability 16.6
Ring Count 2
Rotatable Bond Count 0

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