| CAS Number | 176961-27-6 |
| Catalog Number | AG00AT5V(AGN-PC-0QB1GC) |
| Chemical Name | tert-Butyl 2-(4-bromophenyl)imidazole-1-carboxylate |
| IUPAC Name | tert-butyl 2-(4-bromophenyl)imidazole-1-carboxylate |
| InChI | InChI=1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-9-8-16-12(17)10-4-6-11(15)7-5-10/h4-9H,1-3H3 |
| InChI Key | HVXAVAYCHCHGSS-UHFFFAOYSA-N |
| MDL Number | MFCD26390250 |
| Molecular Formula | C14H15BrN2O2 |
| Molecular Weight | 323.1851 |
| SMILES | CC(C)(C)OC(=O)n1ccnc1-c1ccc(Br)cc1 |
| Synonyms | 176961-27-6,
tert-butyl 2-(4-bromophenyl)imidazole-1-carboxylate,
tert-butyl 2-(4-bromophenyl)-1H-imidazole-1-carboxylate,
SCHEMBL2725204,
HVXAVAYCHCHGSS-UHFFFAOYSA-N,
MFCD26390250,
ZINC80820033,
CS-0059734,
t-Butyl 2-(4-bromophenyl)-1H-imidazole-1-carboxylate,
1,1-dimethylethyl 2-(4-bromophenyl)-1H-imidazole-1-carboxylate,
1- dimethylethyl 2-(4-bromophenyl)-lEta-imidazole-l-carboxylate,
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.19g/mol |
| Monoisotopic Mass | 322.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number