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Home > Imidazoles > 7195-98-4
7195-98-4 | 1H-Benzimidazolium, 1,3-dimethyl-, perchlorate
CAS No: 7195-98-4 Catalog No: AG0060P5 MDL No:
Product Description
Catalog Number:
AG0060P5
Chemical Name:
1H-Benzimidazolium, 1,3-dimethyl-, perchlorate
CAS Number:
7195-98-4
Molecular Formula:
C9H13ClN2O4
Molecular Weight:
248.6635
IUPAC Name:
1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium;perchlorate
InChI:
InChI=1S/C9H12N2.ClHO4/c1-10-7-11(2)9-6-4-3-5-8(9)10;2-1(3,4)5/h3-6H,7H2,1-2H3;(H,2,3,4,5)
InChI Key:
BVCUKBLZBKBREH-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.C[NH+]1CN(c2c1cccc2)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.663g/mol
Monoisotopic Mass:
248.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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