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4-chloroquinoline-3-carbonitrile

4-chloroquinoline-3-carbonitrile

CAS: 69875-49-6

Formula: C10H5ClN2

SMILES: ClC1=C(C=NC2=CC=CC=C12)C#N

IUPAC: 4-chloroquinoline-3-carbonitrile

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

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 HCXMIOZRXOIQHX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.51
Topological Polar Surface Area 36.68
Polarizability 20.67
Ring Count 2
Rotatable Bond Count 0

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99.62% <7 Days 69875-49-6 $37.40-$785.40$37.40$41.14$104.72$392.70$785.40
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