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89029-00-5 | 1H-Benzimidazole, 2-(ethylthio)-5-nitro-
CAS No: 89029-00-5 Catalog No: AG0042QW MDL No:
Product Description
Catalog Number:
AG0042QW
Chemical Name:
1H-Benzimidazole, 2-(ethylthio)-5-nitro-
CAS Number:
89029-00-5
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
IUPAC Name:
2-ethylsulfanyl-6-nitro-1H-benzimidazole
InChI:
InChI=1S/C9H9N3O2S/c1-2-15-9-10-7-4-3-6(12(13)14)5-8(7)11-9/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
XEDUCRUUKUIWQF-UHFFFAOYSA-N
SMILES:
CCSc1nc2c([nH]1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.25g/mol
Monoisotopic Mass:
223.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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