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Home > Nitro Compounds > 98993-72-7
98993-72-7 | 2(1H)-Quinolinone, 1-methyl-3,6,8-trinitro-
CAS No: 98993-72-7 Catalog No: AG005T8Z MDL No:
Product Description
Catalog Number:
AG005T8Z
Chemical Name:
2(1H)-Quinolinone, 1-methyl-3,6,8-trinitro-
CAS Number:
98993-72-7
Molecular Formula:
C10H6N4O7
Molecular Weight:
294.1772
IUPAC Name:
1-methyl-3,6,8-trinitroquinolin-2-one
InChI:
InChI=1S/C10H6N4O7/c1-11-9-5(3-8(10(11)15)14(20)21)2-6(12(16)17)4-7(9)13(18)19/h2-4H,1H3
InChI Key:
GXVCAPUIZBOAHQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cc([N+](=O)[O-])c(=O)n(c2c(c1)[N+](=O)[O-])C
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.024g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.179g/mol
Monoisotopic Mass:
294.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis of unnatural 1-methyl-2-quinolone derivatives. | Chemical & pharmaceutical bulletin 20041101 |
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