ethyl 7-chloroquinoline-2-carboxylate

ethyl 7-chloroquinoline-2-carboxylate

CAS: 116529-90-9

Formula: C12H10ClNO2

SMILES: CCOC(=O)C1=NC2=CC(Cl)=CC=C2C=C1

IUPAC: ethyl 7-chloroquinoline-2-carboxylate

InChI: InChI=1S/C12H10ClNO2/c1-2-16-12(15)10-6-4-8-3-5-9(13)7-11(8)14-10/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	DTHLOZLLCPGOOR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.19
Topological Polar Surface Area	39.19
Polarizability	25.07
Ring Count	2
Rotatable Bond Count	3

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