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113608-76-7 | 1H-Benzimidazole, 6-methyl-2-(5-nitro-2-furanyl)-
CAS No: 113608-76-7 Catalog No: AG00094W MDL No:
Product Description
Catalog Number:
AG00094W
Chemical Name:
1H-Benzimidazole, 6-methyl-2-(5-nitro-2-furanyl)-
CAS Number:
113608-76-7
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
IUPAC Name:
6-methyl-2-(5-nitrofuran-2-yl)-1H-benzimidazole
InChI:
InChI=1S/C12H9N3O3/c1-7-2-3-8-9(6-7)14-12(13-8)10-4-5-11(18-10)15(16)17/h2-6H,1H3,(H,13,14)
InChI Key:
BVDWIVURZYHTBC-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[nH]c(n2)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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