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26893-17-4 | ETHYL 8-CHLORO[1,3]DIOXOLO[4,5-G]QUINOLINE-7-CARBOXYLATE
CAS No: 26893-17-4 Catalog No: AG003QE0 MDL No:MFCD00173405
Product Description
Catalog Number:
AG003QE0
Chemical Name:
ETHYL 8-CHLORO[1,3]DIOXOLO[4,5-G]QUINOLINE-7-CARBOXYLATE
CAS Number:
26893-17-4
Molecular Formula:
C13H10ClNO4
Molecular Weight:
279.6758
MDL Number:
MFCD00173405
IUPAC Name:
ethyl 8-chloro-[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
InChI Key:
IQDOHPSCFUSFGJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Cl)cc1c(c2)OCO1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.676g/mol
Monoisotopic Mass:
279.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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