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Home > Imidazoles > 143966-23-8
143966-23-8 | 1H-Benzimidazole, 6-nitro-2-(pentylthio)-
CAS No: 143966-23-8 Catalog No: AG001INF MDL No:
Product Description
Catalog Number:
AG001INF
Chemical Name:
1H-Benzimidazole, 6-nitro-2-(pentylthio)-
CAS Number:
143966-23-8
Molecular Formula:
C12H15N3O2S
Molecular Weight:
265.3314
IUPAC Name:
6-nitro-2-pentylsulfanyl-1H-benzimidazole
InChI:
InChI=1S/C12H15N3O2S/c1-2-3-4-7-18-12-13-10-6-5-9(15(16)17)8-11(10)14-12/h5-6,8H,2-4,7H2,1H3,(H,13,14)
InChI Key:
OINTZBBAYHEZEJ-UHFFFAOYSA-N
SMILES:
CCCCCSc1nc2c([nH]1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.331g/mol
Monoisotopic Mass:
265.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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