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52287-74-8 | 1H-Benzimidazolium, 1-methyl-3-phenyl-
CAS No: 52287-74-8 Catalog No: AG006VE1 MDL No:
Product Description
Catalog Number:
AG006VE1
Chemical Name:
1H-Benzimidazolium, 1-methyl-3-phenyl-
CAS Number:
52287-74-8
Molecular Formula:
C14H15N2+
Molecular Weight:
211.2823
IUPAC Name:
1-methyl-3-phenyl-1,2-dihydrobenzimidazol-1-ium
InChI:
InChI=1S/C14H14N2/c1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15/h2-10H,11H2,1H3/p+1
InChI Key:
QUOALXDTIZDKBU-UHFFFAOYSA-O
SMILES:
C[NH+]1CN(c2c1cccc2)c1ccccc1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.124g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.288g/mol
Monoisotopic Mass:
211.124g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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