ethyl 2-chloroquinoline-3-carboxylate

ethyl 2-chloroquinoline-3-carboxylate

CAS: 16498-86-5

Formula: C12H10ClNO2

SMILES: CCOC(=O)C1=C(Cl)N=C2C=CC=CC2=C1

IUPAC: ethyl 2-chloroquinoline-3-carboxylate

InChI: InChI=1S/C12H10ClNO2/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13/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	RDZRGYUIVNLMIC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.62
Topological Polar Surface Area	39.19
Polarizability	25.15
Ring Count	2
Rotatable Bond Count	3

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