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4-chloroquinoline-5-carbonitrile

4-chloroquinoline-5-carbonitrile

CAS: 132586-14-2

Formula: C10H5ClN2

SMILES: ClC1=C2C(C=CC=C2C#N)=NC=C1

IUPAC: 4-chloroquinoline-5-carbonitrile

InChI: InChI=1S/C10H5ClN2/c11-8-4-5-13-9-3-1-2-7(6-12)10(8)9/h1-5H

Composition: C (63.68%), H (2.67%), Cl (18.80%), N (14.85%)

Molar Mass: 188.61

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 188.0141259
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey CZFLCFMMESPBGQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.51
Topological Polar Surface Area 36.68
Polarizability 20.66
Ring Count 2
Rotatable Bond Count 0

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97% <2 Days 132586-14-2 $165.60-$3,447.70$165.60$216.20$316.25$516.35$917.70$3,447.70
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