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Home > Imidazoles > 97945-36-3
97945-36-3 | 1-METHYL-5-NITRO-2-((1-NITROCYCLOHEPTYL)METHYL)-1H-IMIDAZOLE
CAS No: 97945-36-3 Catalog No: AG005X4M MDL No:
Product Description
Catalog Number:
AG005X4M
Chemical Name:
1-METHYL-5-NITRO-2-((1-NITROCYCLOHEPTYL)METHYL)-1H-IMIDAZOLE
CAS Number:
97945-36-3
Molecular Formula:
C12H18N4O4
Molecular Weight:
282.2957
IUPAC Name:
1-methyl-5-nitro-2-[(1-nitrocycloheptyl)methyl]imidazole
InChI:
InChI=1S/C12H18N4O4/c1-14-10(13-9-11(14)15(17)18)8-12(16(19)20)6-4-2-3-5-7-12/h9H,2-8H2,1H3
InChI Key:
TWBSNTOHQPLDLO-UHFFFAOYSA-N
SMILES:
Cn1c(ncc1[N+](=O)[O-])CC1(CCCCCC1)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.3g/mol
Monoisotopic Mass:
282.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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