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Home > Imidazoles > 306935-59-1
306935-59-1 | Spiro[2H-benzimidazole-2,1'-cyclopentane], 5-nitro-, 1,3-dioxide
CAS No: 306935-59-1 Catalog No: AG0030VE MDL No:
Product Description
Catalog Number:
AG0030VE
Chemical Name:
Spiro[2H-benzimidazole-2,1'-cyclopentane], 5-nitro-, 1,3-dioxide
CAS Number:
306935-59-1
Molecular Formula:
C11H11N3O4
Molecular Weight:
249.2227
IUPAC Name:
5-nitro-3-oxidospiro[benzimidazol-1-ium-2,1'-cyclopentane] 1-oxide
InChI:
InChI=1S/C11H11N3O4/c15-12-9-4-3-8(14(17)18)7-10(9)13(16)11(12)5-1-2-6-11/h3-4,7H,1-2,5-6H2
InChI Key:
LCFCUDVZEQEHDG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2=[N+](C3([N+](=c2c1)[O-])CCCC3)[O-]
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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