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Home > Nitro Compounds > 6949-81-1
6949-81-1 | 1-(2,4-dinitrophenyl)-1,2-dihydropyridazine-3,6-dione
CAS No: 6949-81-1 Catalog No: AG005L6B MDL No:
Product Description
Catalog Number:
AG005L6B
Chemical Name:
1-(2,4-dinitrophenyl)-1,2-dihydropyridazine-3,6-dione
CAS Number:
6949-81-1
Molecular Formula:
C10H6N4O6
Molecular Weight:
278.1778
IUPAC Name:
2-(2,4-dinitrophenyl)-1H-pyridazine-3,6-dione
InChI:
InChI=1S/C10H6N4O6/c15-9-3-4-10(16)12(11-9)7-2-1-6(13(17)18)5-8(7)14(19)20/h1-5H,(H,11,15)
InChI Key:
KZDPWJGNIXETSP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1n1[nH]c(=O)ccc1=O)[N+](=O)[O-]
NSC Number:
22857
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.029g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.18g/mol
Monoisotopic Mass:
278.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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