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138964-52-0 | 2,4(1H,3H)-Quinolinedione, 6-chloro-
CAS No: 138964-52-0 Catalog No: AG0019XB MDL No:
Product Description
Catalog Number:
AG0019XB
Chemical Name:
2,4(1H,3H)-Quinolinedione, 6-chloro-
CAS Number:
138964-52-0
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
IUPAC Name:
6-chloro-1H-quinoline-2,4-dione
InChI:
InChI=1S/C9H6ClNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-3H,4H2,(H,11,13)
InChI Key:
XBONVGVMAWCTFY-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)c2c(N1)ccc(c2)Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.009g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.602g/mol
Monoisotopic Mass:
195.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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