| CAS Number | 1268334-93-5 |
| Catalog Number | AG00J2I4(AGN-PC-0WB5XY) |
| Chemical Name | 4-Bromo-2-propyl-1h-imidazole |
| IUPAC Name | 5-bromo-2-propyl-1H-imidazole |
| InChI | InChI=1S/C6H9BrN2/c1-2-3-6-8-4-5(7)9-6/h4H,2-3H2,1H3,(H,8,9) |
| InChI Key | QXVQJTAEJKKNGJ-UHFFFAOYSA-N |
| MDL Number | MFCD18447676 |
| Molecular Formula | C6H9BrN2 |
| Molecular Weight | 189.0531 |
| SMILES | CCCC1=NC=C(Br)N1 |
| Synonyms | 5-bromo-2-propyl-1H-imidazole,
4-bromo-2-propyl-1H-imidazole,
1268334-93-5,
1H-imidazole, 4-bromo-2-propyl-,
ALBB-016436,
ZX-AN015128,
MFCD18447676,
MFCD19103374,
ZINC59270620,
AKOS006315857,
AKOS015959726,
FCH1053265,
5-Bromo-2-propyl-1H-imidazole, AldrichCPR,
T4650,
Y-8056,
|
| Complexity | 87.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.056g/mol |
| Monoisotopic Mass | 187.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number