| CAS Number | 60639-22-7 |
| Catalog Number | AG00IAQA(AGN-PC-0WRA8Z) |
| Chemical Name | 4-(4-Bromo-3,5-dimethylpyrazol-1-yl)aniline |
| IUPAC Name | 4-(4-bromo-3,5-dimethylpyrazol-1-yl)aniline |
| InChI | InChI=1S/C11H12BrN3/c1-7-11(12)8(2)15(14-7)10-5-3-9(13)4-6-10/h3-6H,13H2,1-2H3 |
| InChI Key | LQGXOTIQMCKHSZ-UHFFFAOYSA-N |
| MDL Number | MFCD08558832 |
| Molecular Formula | C11H12BrN3 |
| Molecular Weight | 266.1371 |
| SMILES | Nc1ccc(cc1)n1nc(c(c1C)Br)C |
| Synonyms | 4-(4-bromo-3,5-dimethylpyrazol-1-yl)aniline,
60639-22-7,
ZINC11920539,
AKOS011410043,
MCULE-9793417541,
4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)aniline,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.142g/mol |
| Monoisotopic Mass | 265.021g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number