| CAS Number | 1184673-82-2 |
| Catalog Number | AG01EL6F |
| Chemical Name | 1-(4-Bromophenyl)-4-methyl-1H-pyrazole |
| IUPAC Name | 1-(4-bromophenyl)-4-methylpyrazole |
| InChI | InChI=1S/C10H9BrN2/c1-8-6-12-13(7-8)10-4-2-9(11)3-5-10/h2-7H,1H3 |
| InChI Key | SFYPWVBEUPHLBJ-UHFFFAOYSA-N |
| MDL Number | MFCD12800583 |
| Molecular Formula | C10H9BrN2 |
| Molecular Weight | 237.0959 |
| SMILES | BrC1=CC=C(C=C1)N1N=CC(=C1)C |
| Synonyms | AKOS006038880,
1-(4-BROMOPHENYL)-4-METHYL-1H-PYRAZOLE,
1184673-82-2,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.1g/mol |
| Monoisotopic Mass | 235.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number