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Home > Imidazoles > 6961-39-3
6961-39-3 | Methanone,(3,5-dimethyl-1H-pyrazol-1-yl)(5-nitro-1H-imidazol-4-yl)-
CAS No: 6961-39-3 Catalog No: AG0069VN MDL No:
Product Description
Catalog Number:
AG0069VN
Chemical Name:
Methanone,(3,5-dimethyl-1H-pyrazol-1-yl)(5-nitro-1H-imidazol-4-yl)-
CAS Number:
6961-39-3
Molecular Formula:
C9H9N5O3
Molecular Weight:
235.1995
IUPAC Name:
(3,5-dimethylpyrazol-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone
InChI:
InChI=1S/C9H9N5O3/c1-5-3-6(2)13(12-5)9(15)7-8(14(16)17)11-4-10-7/h3-4H,1-2H3,(H,10,11)
InChI Key:
HVUROEOAOOYNBT-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)C(=O)c1nc[nH]c1[N+](=O)[O-]
NSC Number:
63145
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.203g/mol
Monoisotopic Mass:
235.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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