| CAS Number | 1368048-62-7 |
| Catalog Number | AG01BDBN |
| Chemical Name | 4-(2-Bromophenyl)-3-methyl-1H-pyrazole |
| IUPAC Name | 4-(2-bromophenyl)-5-methyl-1H-pyrazole |
| InChI | InChI=1S/C10H9BrN2/c1-7-9(6-12-13-7)8-4-2-3-5-10(8)11/h2-6H,1H3,(H,12,13) |
| InChI Key | DNCUNKPRYMFNBM-UHFFFAOYSA-N |
| MDL Number | MFCD22034891 |
| Molecular Formula | C10H9BrN2 |
| Molecular Weight | 237.0959 |
| SMILES | BrC1=C(C=CC=C1)C=1C(=NNC1)C |
| Synonyms | 4-(2-bromophenyl)-3-methyl-1H-pyrazole,
1368048-62-7,
ZINC82330738,
AKOS022685007,
AKOS023648825,
NE62557,
|
| Complexity | 174 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.1g/mol |
| Monoisotopic Mass | 235.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number