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848725-97-3 | 1H-Benzimidazole, 5-chloro-2-[(3,5-dinitrophenyl)thio]-
CAS No: 848725-97-3 Catalog No: AG004W9Y MDL No:
Product Description
Catalog Number:
AG004W9Y
Chemical Name:
1H-Benzimidazole, 5-chloro-2-[(3,5-dinitrophenyl)thio]-
CAS Number:
848725-97-3
Molecular Formula:
C13H7ClN4O4S
Molecular Weight:
350.7371
IUPAC Name:
6-chloro-2-(3,5-dinitrophenyl)sulfanyl-1H-benzimidazole
InChI:
InChI=1S/C13H7ClN4O4S/c14-7-1-2-11-12(3-7)16-13(15-11)23-10-5-8(17(19)20)4-9(6-10)18(21)22/h1-6H,(H,15,16)
InChI Key:
SZIUTEYKWWNIBH-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc([nH]2)Sc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.988g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.733g/mol
Monoisotopic Mass:
349.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Synthesis and antimycobacterial activity of 2-substituted halogenobenzimidazoles. | European journal of medicinal chemistry 20050201 |
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