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Home > Imidazoles > 67678-92-6
67678-92-6 | 1H-Benzimidazolium, 1,3-dimethyl-2-(phenylazo)-, benzenesulfonate
CAS No: 67678-92-6 Catalog No: AG00644B MDL No:
Product Description
Catalog Number:
AG00644B
Chemical Name:
1H-Benzimidazolium, 1,3-dimethyl-2-(phenylazo)-, benzenesulfonate
CAS Number:
67678-92-6
Molecular Formula:
C21H22N4O3S
Molecular Weight:
410.4894
IUPAC Name:
benzenesulfonate;(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)-phenyldiazene
InChI:
InChI=1S/C15H16N4.C6H6O3S/c1-18-13-10-6-7-11-14(13)19(2)15(18)17-16-12-8-4-3-5-9-12;7-10(8,9)6-4-2-1-3-5-6/h3-11,15H,1-2H3;1-5H,(H,7,8,9)
InChI Key:
XRUVKBPIXXDMIV-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)c1ccccc1.C[NH+]1c2ccccc2N(C1N=Nc1ccccc1)C
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.141g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
410.492g/mol
Monoisotopic Mass:
410.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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