| CAS Number | 577957-02-9 |
| Catalog Number | AG00EK96(AGN-PC-0IPM21) |
| Chemical Name | Ethyl 2-ethoxy-1H-benzo[d]imidazole-7-carboxylate |
| IUPAC Name | ethyl 2-ethoxy-1H-benzimidazole-4-carboxylate |
| InChI | InChI=1S/C12H14N2O3/c1-3-16-11(15)8-6-5-7-9-10(8)14-12(13-9)17-4-2/h5-7H,3-4H2,1-2H3,(H,13,14) |
| InChI Key | HEDXBGAGAWZJPJ-UHFFFAOYSA-N |
| MDL Number | MFCD26227269 |
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.2512 |
| SMILES | CCOC(=O)c1cccc2c1[nH]c(n2)OCC |
| Synonyms | 577957-02-9,
Ethyl 2-ethoxy-1H-benzo[d]imidazole-7-carboxylate,
BENZIMIDAZOLE-4-CARBOXYLIC ACID 2-ETHOXY ETHYL ESTER,
SCHEMBL7260709,
ZINC89195055,
AKOS027382112,
1h-benzimidazole-7-carboxylic acid,2-ethoxy-,ethyl ester,
ethyl 2-ethoxy-3H-benzimidazole-4-carboxylate,
|
| Complexity | 273 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.255g/mol |
| Monoisotopic Mass | 234.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number