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25943-57-1 | 5,6-Quinolinedione, 7-chloro-8-(diethylamino)-
CAS No: 25943-57-1 Catalog No: AG002R57 MDL No:
Product Description
Catalog Number:
AG002R57
Chemical Name:
5,6-Quinolinedione, 7-chloro-8-(diethylamino)-
CAS Number:
25943-57-1
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
IUPAC Name:
7-chloro-8-(diethylamino)quinoline-5,6-dione
InChI:
InChI=1S/C13H13ClN2O2/c1-3-16(4-2)11-9(14)13(18)12(17)8-6-5-7-15-10(8)11/h5-7H,3-4H2,1-2H3
InChI Key:
ZIGSTPVNPZJARH-UHFFFAOYSA-N
SMILES:
CCN(C1=C(Cl)C(=O)C(=O)c2c1nccc2)CC
NSC Number:
139036
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.709g/mol
Monoisotopic Mass:
264.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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