| CAS Number | 1203852-75-8 |
| Catalog Number | AG019EOD(AGN-PC-0WG3P5) |
| Chemical Name | Ethyl 1-(2-(methoxycarbonyl)-4-nitrophenyl)-5-methyl-1H-imidazole-4-carboxylate |
| IUPAC Name | ethyl 1-(2-methoxycarbonyl-4-nitrophenyl)-5-methylimidazole-4-carboxylate |
| InChI | InChI=1S/C15H15N3O6/c1-4-24-15(20)13-9(2)17(8-16-13)12-6-5-10(18(21)22)7-11(12)14(19)23-3/h5-8H,4H2,1-3H3 |
| InChI Key | GHWRXCNCMVAHGG-UHFFFAOYSA-N |
| MDL Number | MFCD31555320 |
| Molecular Formula | C15H15N3O6 |
| Molecular Weight | 333.2961 |
| SMILES | CCOC(=O)c1ncn(c1C)-c1ccc(cc1C(=O)OC)[N+]([O-])=O |
| Synonyms | ETHYL 1-(2-(METHOXYCARBONYL)-4-NITROPHENYL)-5-METHYL-1H-IMIDAZOLE-4-CARBOXYLATE,
1203852-75-8,
CS-0037213,
1-[2-(Methoxycarbonyl)-4-nitrophenyl]-5-methyl-1H-imidazole-4-carboxylic acid ethyl ester,
ethyl 1-(2-(methoxycarbonyl)-4-nitrophenyl)-5-methyl-1H-imidazole-4-carboxylate(WXC06731),
|
| Complexity | 494 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.3g/mol |
| Monoisotopic Mass | 333.096g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 116A^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