ethyl 8-chloro-2H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

ethyl 8-chloro-2H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

CAS: 26893-17-4

Formula: C13H10ClNO4

SMILES: CCOC(=O)C1=C(Cl)C2=CC3=C(OCO3)C=C2N=C1

IUPAC: ethyl 8-chloro-2H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

InChI: InChI=1S/C13H10ClNO4/c1-2-17-13(16)8-5-15-9-4-11-10(18-6-19-11)3-7(9)12(8)14/h3-5H,2,6H2,1H3

Composition: C (55.83%), H (3.60%), Cl (12.68%), N (5.01%), O (22.88%)

Molar Mass: 279.68

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	279.0298355
Formal Charge	0
FSP3	0.23
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	IQDOHPSCFUSFGJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.32
Topological Polar Surface Area	57.65
Polarizability	27.6
Ring Count	3
Rotatable Bond Count	3

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