| CAS Number | 1049118-07-1 |
| Catalog Number | AG00J23W(AGN-PC-0WB5FC) |
| Chemical Name | 4-Bromo-2,5-dimethyl-1H-imidazole |
| IUPAC Name | 4-bromo-2,5-dimethyl-1H-imidazole |
| InChI | InChI=1S/C5H7BrN2/c1-3-5(6)8-4(2)7-3/h1-2H3,(H,7,8) |
| InChI Key | VGFNRJCHIWPIPH-UHFFFAOYSA-N |
| MDL Number | MFCD13811109 |
| Molecular Formula | C5H7BrN2 |
| Molecular Weight | 175.0265 |
| SMILES | BrC=1N=C(NC1C)C |
| Synonyms | 4-Bromo-2,5-dimethyl-1H-imidazole,
1049118-07-1,
5-Bromo-2,4-dimethyl-1H-imidazole,
SCHEMBL12926027,
ALBB-026663,
ZX-AN025172,
ZX-CM007880,
FCH924278,
MFCD13811109,
ZINC22126098,
AKOS002658143,
1H-imidazole, 4-bromo-2,5-dimethyl-,
A-7000,
N/A,
|
| Complexity | 86.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.029g/mol |
| Monoisotopic Mass | 173.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number