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Home > Imidazoles > 3705-86-0
3705-86-0 | 2H-Benzimidazol-2-one,1,3-dihydro-5,6-dinitro-
CAS No: 3705-86-0 Catalog No: AG007BXJ MDL No:
Product Description
Catalog Number:
AG007BXJ
Chemical Name:
2H-Benzimidazol-2-one,1,3-dihydro-5,6-dinitro-
CAS Number:
3705-86-0
Molecular Formula:
C7H4N4O5
Molecular Weight:
224.1305
IUPAC Name:
5,6-dinitro-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C7H4N4O5/c12-7-8-3-1-5(10(13)14)6(11(15)16)2-4(3)9-7/h1-2H,(H2,8,9,12)
InChI Key:
TZDUUWCJIOBQOD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-]
EC Number:
223-049-1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.132g/mol
Monoisotopic Mass:
224.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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