| CAS Number | 1000932-51-3 |
| Catalog Number | AG019LEY |
| Chemical Name | ethyl 1-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylate |
| IUPAC Name | ethyl 1-ethyl-2-oxo-3H-benzimidazole-5-carboxylate |
| InChI | InChI=1S/C12H14N2O3/c1-3-14-10-6-5-8(11(15)17-4-2)7-9(10)13-12(14)16/h5-7H,3-4H2,1-2H3,(H,13,16) |
| InChI Key | MFSDAZAXDDRYOB-UHFFFAOYSA-N |
| MDL Number | MFCD09971378 |
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.2512 |
| SMILES | CCOC(C1=CC2=C(N(C(N2)=O)CC)C=C1)=O |
| Synonyms | ethyl 1-ethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylate,
1000932-51-3,
ethyl 1-ethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylate,
AC1Q349I,
CTK6F6595,
ZINC12759554,
AKOS009167696,
MCULE-5987332628,
NE34612,
EN300-31014,
Z319217172,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.255g/mol |
| Monoisotopic Mass | 234.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number