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Home > Imidazoles > 97945-37-4
97945-37-4 | 1-METHYL-5-NITRO-2-((2-NITROBICYCLO(2.2.1)HEPT-2-YL)METHYL)-1H-IMIDAZOLE
CAS No: 97945-37-4 Catalog No: AG006AK9 MDL No:
Product Description
Catalog Number:
AG006AK9
Chemical Name:
1-METHYL-5-NITRO-2-((2-NITROBICYCLO(2.2.1)HEPT-2-YL)METHYL)-1H-IMIDAZOLE
CAS Number:
97945-37-4
Molecular Formula:
C12H16N4O4
Molecular Weight:
280.2798
IUPAC Name:
1-methyl-5-nitro-2-[(2-nitro-2-bicyclo[2.2.1]heptanyl)methyl]imidazole
InChI:
InChI=1S/C12H16N4O4/c1-14-10(13-7-11(14)15(17)18)6-12(16(19)20)5-8-2-3-9(12)4-8/h7-9H,2-6H2,1H3
InChI Key:
UGUMOUOHJIRGJL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1(CC2CC1CC2)Cc1ncc(n1C)[N+](=O)[O-]
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.117g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.284g/mol
Monoisotopic Mass:
280.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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