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5470-77-9 | 1,3-Dimethyl-1H-1,3-benzodiazol-3-ium iodide monohydrate
CAS No: 5470-77-9 Catalog No: AG01EWF9 MDL No:
Product Description
Catalog Number:
AG01EWF9
Chemical Name:
1,3-Dimethyl-1H-1,3-benzodiazol-3-ium iodide monohydrate
CAS Number:
5470-77-9
Molecular Formula:
C9H11IN2
Molecular Weight:
274.1015
IUPAC Name:
1,3-dimethylbenzimidazol-3-ium;iodide
InChI:
InChI=1S/C9H11N2.HI/c1-10-7-11(2)9-6-4-3-5-8(9)10;/h3-7H,1-2H3;1H/q+1;/p-1
InChI Key:
RQGURHMTNSNBQX-UHFFFAOYSA-M
SMILES:
C[n+]1cn(c2c1cccc2)C.[I-]
NSC Number:
27984
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.105g/mol
Monoisotopic Mass:
273.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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