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Home > Imidazoles > 98501-46-3
98501-46-3 | 1H-Benzimidazole, 1-hydroxy-2-(4-methoxyphenyl)-, 3-oxide
CAS No: 98501-46-3 Catalog No: AG006830 MDL No:
Product Description
Catalog Number:
AG006830
Chemical Name:
1H-Benzimidazole, 1-hydroxy-2-(4-methoxyphenyl)-, 3-oxide
CAS Number:
98501-46-3
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
IUPAC Name:
1-hydroxy-2-(4-methoxyphenyl)-3-oxidobenzimidazol-3-ium
InChI:
InChI=1S/C14H12N2O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,17H,1H3
InChI Key:
IGMKXLNJBFTXMH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1n(O)c2c([n+]1[O-])cccc2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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