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Home > Nitro Compounds > 2096-45-9
2096-45-9 | Pyridazine, 3,6-dimethyl-4-nitro-, 2-oxide
CAS No: 2096-45-9 Catalog No: AG002KBP MDL No:
Product Description
Catalog Number:
AG002KBP
Chemical Name:
Pyridazine, 3,6-dimethyl-4-nitro-, 2-oxide
CAS Number:
2096-45-9
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
IUPAC Name:
3,6-dimethyl-5-nitro-1-oxidopyridazin-1-ium
InChI:
InChI=1S/C6H7N3O3/c1-4-3-6(9(11)12)5(2)8(10)7-4/h3H,1-2H3
InChI Key:
CHPXFFIDJYRMLI-UHFFFAOYSA-N
SMILES:
Cc1n[n+]([O-])c(c(c1)[N+](=O)[O-])C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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