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ethyl 2,4-dichloroquinoline-3-carboxylate

ethyl 2,4-dichloroquinoline-3-carboxylate

CAS: 6315-94-2

Formula: C12H9Cl2NO2

SMILES: CCOC(=O)C1=C(Cl)C2=CC=CC=C2N=C1Cl

IUPAC: ethyl 2,4-dichloroquinoline-3-carboxylate

InChI: InChI=1S/C12H9Cl2NO2/c1-2-17-12(16)9-10(13)7-5-3-4-6-8(7)15-11(9)14/h3-6H,2H2,1H3

Composition: C (53.36%), H (3.36%), Cl (26.25%), N (5.19%), O (11.85%)

Molar Mass: 270.11

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 269.0010339
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ULBLITMQCMVRMY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.42
Topological Polar Surface Area 39.19
Polarizability 27.07
Ring Count 2
Rotatable Bond Count 3

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