| CAS Number | 94315-53-4 |
| Catalog Number | AG0038IX(AGN-PC-02P7AU) |
| Chemical Name | 2-(4-ethenylphenyl)-1-methyl-1H-1,3-benzodiazole |
| IUPAC Name | 2-(4-ethenylphenyl)-1-methylbenzimidazole |
| InChI | InChI=1S/C16H14N2/c1-3-12-8-10-13(11-9-12)16-17-14-6-4-5-7-15(14)18(16)2/h3-11H,1H2,2H3 |
| InChI Key | JPOCVGKMJUFJOD-UHFFFAOYSA-N |
| MDL Number | MFCD00956879 |
| Molecular Formula | C16H14N2 |
| Molecular Weight | 234.2958 |
| SMILES | C=Cc1ccc(cc1)c1nc2c(n1C)cccc2 |
| Synonyms | 1H-Benzimidazole, 2-(4-ethenylphenyl)-1-methyl-,
94315-53-4,
ACMC-20lyk9,
SCHEMBL10608396,
CTK3F5067,
DTXSID90604450,
AKOS028114247,
KS-000002K8,
2-(4-ethenylphenyl)-1-methylbenzimidazole,
1-Methyl-2-(4-vinylphenyl)-1H-benzoimidazole,
2-(4-Ethenylphenyl)-1-methyl-1H-benzimidazole,
1H-Benzimidazole,2-(4-ethenylphenyl)-1-methyl-,
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| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.302g/mol |
| Monoisotopic Mass | 234.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number