| CAS Number | 1141931-60-3 |
| Catalog Number | AG01EKVP |
| Chemical Name | 2-(naphthalen-2-yl)-1H-1,3-benzodiazole-5-carboxylic acid |
| IUPAC Name | 2-naphthalen-2-yl-3H-benzimidazole-5-carboxylic acid |
| InChI | InChI=1S/C18H12N2O2/c21-18(22)14-7-8-15-16(10-14)20-17(19-15)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,19,20)(H,21,22) |
| InChI Key | WXIPFSQLKFPXOE-UHFFFAOYSA-N |
| MDL Number | MFCD31666930 |
| Molecular Formula | C18H12N2O2 |
| Molecular Weight | 288.3001 |
| SMILES | OC(C1=CC2=C(NC(C3=CC4=C(C=CC=C4)C=C3)=N2)C=C1)=O |
| Synonyms | SCHEMBL4243591,
AKOS025122612,
ZINC168871377,
2-(2-naphthyl)-1H-benzimidazole-5-carboxylic acid,
2-(naphthalen-2-yl)-1H-1,3-benzodiazole-5-carboxylic acid,
1141931-60-3,
|
| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.306g/mol |
| Monoisotopic Mass | 288.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number