| CAS Number | 1152503-90-6 |
| Catalog Number | AG01DV00 |
| Chemical Name | 3-(2-bromophenyl)-1-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C11H9BrN2O/c1-14-6-8(7-15)11(13-14)9-4-2-3-5-10(9)12/h2-7H,1H3 |
| InChI Key | IAIPUZKMELNZPH-UHFFFAOYSA-N |
| MDL Number | MFCD11180169 |
| Molecular Formula | C11H9BrN2O |
| Molecular Weight | 265.1060 |
| SMILES | CN1N=C(C2=C(Br)C=CC=C2)C(C=O)=C1 |
| Synonyms | 3-(2-BROMOPHENYL)-1-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE,
1152503-90-6,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.11g/mol |
| Monoisotopic Mass | 263.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number