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19658-59-4 | 1,3-Dioxolo[4,5-g]quinoline-7-carbonylchloride, 5-ethyl-5,8-dihydro-8-oxo-
CAS No: 19658-59-4 Catalog No: AG0073T7 MDL No:
Product Description
Catalog Number:
AG0073T7
Chemical Name:
1,3-Dioxolo[4,5-g]quinoline-7-carbonylchloride, 5-ethyl-5,8-dihydro-8-oxo-
CAS Number:
19658-59-4
Molecular Formula:
C13H10ClNO4
Molecular Weight:
279.6758
IUPAC Name:
5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl chloride
InChI:
InChI=1S/C13H10ClNO4/c1-2-15-5-8(13(14)17)12(16)7-3-10-11(4-9(7)15)19-6-18-10/h3-5H,2,6H2,1H3
InChI Key:
UHTXSKYRONVQLT-UHFFFAOYSA-N
SMILES:
CCn1cc(C(=O)Cl)c(=O)c2c1cc1OCOc1c2
Properties
Complexity:
450
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:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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