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Home > Nitro Compounds > 13974-48-6
13974-48-6 | 2(1H)-Quinolinone, 1-methyl-6,8-dinitro-
CAS No: 13974-48-6 Catalog No: AG001BMN MDL No:
Product Description
Catalog Number:
AG001BMN
Chemical Name:
2(1H)-Quinolinone, 1-methyl-6,8-dinitro-
CAS Number:
13974-48-6
Molecular Formula:
C10H7N3O5
Molecular Weight:
249.1797
IUPAC Name:
1-methyl-6,8-dinitroquinolin-2-one
InChI:
InChI=1S/C10H7N3O5/c1-11-9(14)3-2-6-4-7(12(15)16)5-8(10(6)11)13(17)18/h2-5H,1H3
InChI Key:
NOUOQLSZSCCTJK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc2c1n(C)c(=O)cc2)[N+](=O)[O-]
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.039g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.182g/mol
Monoisotopic Mass:
249.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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