| CAS Number | 1100218-00-5 |
| Catalog Number | AG01E7SQ |
| Chemical Name | Ethyl 6-bromo-1H-benzo[d]imidazole-4-carboxylate |
| IUPAC Name | ethyl 6-bromo-1H-benzimidazole-4-carboxylate |
| InChI | InChI=1S/C10H9BrN2O2/c1-2-15-10(14)7-3-6(11)4-8-9(7)13-5-12-8/h3-5H,2H2,1H3,(H,12,13) |
| InChI Key | FDERRXRFIWYPDC-UHFFFAOYSA-N |
| MDL Number | MFCD20501478 |
| Molecular Formula | C10H9BrN2O2 |
| Molecular Weight | 269.0947 |
| SMILES | BrC=1C=C(C2=C(NC=N2)C1)C(=O)OCC |
| Synonyms | 1100218-00-5,
Ethyl 6-bromo-1H-benzo[d]imidazole-4-carboxylate,
SCHEMBL2431491,
FDERRXRFIWYPDC-UHFFFAOYSA-N,
ZINC73633840,
ethyl 5-bromo-1H-benzimidazole-7-carboxylate,
ethyl 6-bromo-1H-benzimidazole-4-carboxylate,
ethyl 5-bromo-1H-1,3-benzodiazole-7-carboxylate,
Ethyl 5-bromo-1H-benzo[d]imidazole-7-carboxylate,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.098g/mol |
| Monoisotopic Mass | 267.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number