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ethyl 8-chloroquinoline-3-carboxylate

ethyl 8-chloroquinoline-3-carboxylate

Formula: C12H10ClNO2

SMILES: CCOC(=O)C1=CC2=CC=CC(Cl)=C2N=C1

IUPAC: ethyl 8-chloroquinoline-3-carboxylate

InChI: InChI=1S/C12H10ClNO2/c1-2-16-12(15)9-6-8-4-3-5-10(13)11(8)14-7-9/h3-7H,2H2,1H3

Composition: C (61.16%), H (4.28%), Cl (15.04%), N (5.94%), O (13.58%)

Molar Mass: 235.67

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 235.0400063
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VCTDXHDHWDZBHT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.56
Topological Polar Surface Area 39.19
Polarizability 25.09
Ring Count 2
Rotatable Bond Count 3

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98% <10 Days C12H10ClNO2 Quote Only
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