| CAS Number | 689250-79-1 |
| Catalog Number | AG00IBVV(AGN-PC-0ARXKT) |
| Chemical Name | Ethyl 1-(4-fluorophenyl)imidazole-5-carboxylate |
| IUPAC Name | ethyl 3-(4-fluorophenyl)imidazole-4-carboxylate |
| InChI | InChI=1S/C12H11FN2O2/c1-2-17-12(16)11-7-14-8-15(11)10-5-3-9(13)4-6-10/h3-8H,2H2,1H3 |
| InChI Key | MERHTWHWSLCXOB-UHFFFAOYSA-N |
| MDL Number | MFCD27935908 |
| Molecular Formula | C12H11FN2O2 |
| Molecular Weight | 234.2263 |
| SMILES | CCOC(=O)c1cncn1c1ccc(cc1)F |
| Synonyms | Ethyl 1-(4-fluorophenyl)imidazole-5-carboxylate,
689250-79-1,
SCHEMBL4833478,
MERHTWHWSLCXOB-UHFFFAOYSA-N,
ZINC97756640,
AKOS006811314,
ethyl 1-(4-fluorophenyl)-1H-imidazole-5-carboxylate,
1H-Imidazole-5-carboxylic acid, 1-(4-fluorophenyl)-, ethyl ester,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.23g/mol |
| Monoisotopic Mass | 234.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number