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Home > Imidazoles > 91709-02-3
91709-02-3 | 1H-Benzimidazole, 1-[(2,4-dinitrophenyl)thio]-2-ethyl-
CAS No: 91709-02-3 Catalog No: AG006QJY MDL No:
Product Description
Catalog Number:
AG006QJY
Chemical Name:
1H-Benzimidazole, 1-[(2,4-dinitrophenyl)thio]-2-ethyl-
CAS Number:
91709-02-3
Molecular Formula:
C15H12N4O4S
Molecular Weight:
344.3452
IUPAC Name:
1-(2,4-dinitrophenyl)sulfanyl-2-ethylbenzimidazole
InChI:
InChI=1S/C15H12N4O4S/c1-2-15-16-11-5-3-4-6-12(11)17(15)24-14-8-7-10(18(20)21)9-13(14)19(22)23/h3-9H,2H2,1H3
InChI Key:
NKJBEIDEASLXDT-UHFFFAOYSA-N
SMILES:
CCc1nc2c(n1Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])cccc2
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.058g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.345g/mol
Monoisotopic Mass:
344.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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