| CAS Number | 1260655-03-5 |
| Catalog Number | AG018SEH(AGN-PC-0WBQE0) |
| Chemical Name | ethyl 2-(3-bromophenyl)-5-methyl-1H-imidazole-4-carboxylate |
| IUPAC Name | ethyl 2-(3-bromophenyl)-5-methyl-1H-imidazole-4-carboxylate |
| InChI | InChI=1S/C13H13BrN2O2/c1-3-18-13(17)11-8(2)15-12(16-11)9-5-4-6-10(14)7-9/h4-7H,3H2,1-2H3,(H,15,16) |
| InChI Key | DYXNUMWMHMOVJX-UHFFFAOYSA-N |
| MDL Number | MFCD13484567 |
| Molecular Formula | C13H13BrN2O2 |
| Molecular Weight | 309.1585 |
| SMILES | CCOC(C1=C(C)NC(C2=CC(Br)=CC=C2)=N1)=O |
| Synonyms | ethyl 2-(3-bromophenyl)-5-methyl-1H-imidazole-4-carboxylate,
1260655-03-5,
ZINC42435432,
AKOS010670290,
MCULE-7270094042,
NE28959,
SC-32230,
F8889-9254,
Z1446855507,
ethyl 2-(3-bromophenyl)-4-methyl-1H-imidazole-5-carboxylate,
2-(3-BROMOPHENYL)-5-METHYL-3H-IMIDAZOLE-4-CARBOXYL,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.163g/mol |
| Monoisotopic Mass | 308.016g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number