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847982-74-5 | 2H-Benzimidazolium, 1-methyl-
CAS No: 847982-74-5 Catalog No: AG004OJW MDL No:
Product Description
Catalog Number:
AG004OJW
Chemical Name:
2H-Benzimidazolium, 1-methyl-
CAS Number:
847982-74-5
Molecular Formula:
C8H9N2+
Molecular Weight:
133.1705
IUPAC Name:
1-methyl-2H-benzimidazol-1-ium
InChI:
InChI=1S/C8H9N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3/q+1
InChI Key:
ULZCNKSCWHBYDT-UHFFFAOYSA-N
SMILES:
C[N+]1=c2ccccc2=NC1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.077g/mol
Formal Charge:
1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.174g/mol
Monoisotopic Mass:
133.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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