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158787-39-4 | 2(1H)-Quinolinone, 6,7-dichloro-4-hydroxy-3,5-dinitro-
CAS No: 158787-39-4 Catalog No: AG001QVK MDL No:
Product Description
Catalog Number:
AG001QVK
Chemical Name:
2(1H)-Quinolinone, 6,7-dichloro-4-hydroxy-3,5-dinitro-
CAS Number:
158787-39-4
Molecular Formula:
C9H3Cl2N3O6
Molecular Weight:
320.0426
IUPAC Name:
6,7-dichloro-4-hydroxy-3,5-dinitro-1H-quinolin-2-one
InChI:
InChI=1S/C9H3Cl2N3O6/c10-2-1-3-4(6(5(2)11)13(17)18)8(15)7(14(19)20)9(16)12-3/h1H,(H2,12,15,16)
InChI Key:
LYJZGQFTGAGALH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)c(Cl)cc2c1c(O)c(c(=O)[nH]2)[N+](=O)[O-]
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.94g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.038g/mol
Monoisotopic Mass:
318.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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