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isoquinoline-8-carbonitrile

isoquinoline-8-carbonitrile

CAS: 362606-11-9

Formula: C10H6N2

SMILES: N#CC1=CC=CC2=CC=NC=C12

IUPAC: isoquinoline-8-carbonitrile

InChI: InChI=1S/C10H6N2/c11-6-9-3-1-2-8-4-5-12-7-10(8)9/h1-5,7H

Composition: C (77.91%), H (3.92%), N (18.17%)

Molar Mass: 154.172

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 154.053098201
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PZNNHPZBZRHNDO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.07
Topological Polar Surface Area 36.68
Polarizability 18.84
Ring Count 2
Rotatable Bond Count 0

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98% <7 Days 362606-11-9 $10.35-$242.19$10.35$19.67$67.28$242.19
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