| CAS Number | 1354408-65-3 |
| Catalog Number | AG009WTI(AGN-PC-0WAD0Q) |
| Chemical Name | Ethyl 1-ethyl-1,3-benzodiazole-5-carboxylate |
| IUPAC Name | ethyl 1-ethylbenzimidazole-5-carboxylate |
| InChI | InChI=1S/C12H14N2O2/c1-3-14-8-13-10-7-9(5-6-11(10)14)12(15)16-4-2/h5-8H,3-4H2,1-2H3 |
| InChI Key | VPDMFCLAZAZCMR-UHFFFAOYSA-N |
| MDL Number | MFCD25953927 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | CCOC(=O)c1ccc2c(c1)ncn2CC |
| Synonyms | Ethyl 1-ethyl-1,3-benzodiazole-5-carboxylate,
1354408-65-3,
SCHEMBL9126131,
ZINC59078606,
AKOS026672823,
Z9926,
C12H14N2O2,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number