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Home > Imidazoles > 88346-08-1
88346-08-1 | 1H-Benzimidazolium, 1-(2,4-dinitrophenyl)-3-methyl-, chloride
CAS No: 88346-08-1 Catalog No: AG0047Q2 MDL No:
Product Description
Catalog Number:
AG0047Q2
Chemical Name:
1H-Benzimidazolium, 1-(2,4-dinitrophenyl)-3-methyl-, chloride
CAS Number:
88346-08-1
Molecular Formula:
C14H13ClN4O4
Molecular Weight:
336.7304
IUPAC Name:
1-(2,4-dinitrophenyl)-3-methyl-1,2-dihydrobenzimidazol-1-ium;chloride
InChI:
InChI=1S/C14H12N4O4.ClH/c1-15-9-16(12-5-3-2-4-11(12)15)13-7-6-10(17(19)20)8-14(13)18(21)22;/h2-8H,9H2,1H3;1H
InChI Key:
KVKHEQSGJKGYGH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1[NH+]1CN(c2c1cccc2)C)[N+](=O)[O-].[Cl-]
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.063g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.732g/mol
Monoisotopic Mass:
336.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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