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90323-97-0 | 1H-Benzimidazole, 1,2-dimethyl-5,6-dinitro-
CAS No: 90323-97-0 Catalog No: AG006RQJ MDL No:MFCD00630272
Product Description
Catalog Number:
AG006RQJ
Chemical Name:
1H-Benzimidazole, 1,2-dimethyl-5,6-dinitro-
CAS Number:
90323-97-0
Molecular Formula:
C9H8N4O4
Molecular Weight:
236.1842
MDL Number:
MFCD00630272
IUPAC Name:
1,2-dimethyl-5,6-dinitrobenzimidazole
InChI:
InChI=1S/C9H8N4O4/c1-5-10-6-3-8(12(14)15)9(13(16)17)4-7(6)11(5)2/h3-4H,1-2H3
InChI Key:
ZREWNWYVZUFYFV-UHFFFAOYSA-N
SMILES:
Cn1c(C)nc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-]
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.187g/mol
Monoisotopic Mass:
236.055g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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