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769-15-3 | 1H-Benzimidazolium, 1,3-dimethyl-
CAS No: 769-15-3 Catalog No: AG005RSS MDL No:
Product Description
Catalog Number:
AG005RSS
Chemical Name:
1H-Benzimidazolium, 1,3-dimethyl-
CAS Number:
769-15-3
Molecular Formula:
C9H13N2+
Molecular Weight:
149.2129
IUPAC Name:
1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium
InChI:
InChI=1S/C9H12N2/c1-10-7-11(2)9-6-4-3-5-8(9)10/h3-6H,7H2,1-2H3/p+1
InChI Key:
GEPFDEGNEBYCSR-UHFFFAOYSA-O
SMILES:
C[NH+]1CN(c2c1cccc2)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.108g/mol
Formal Charge:
1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.217g/mol
Monoisotopic Mass:
149.108g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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