| CAS Number | 1156997-06-6 |
| Catalog Number | AG01C32V |
| Chemical Name | 1-(3-Bromophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-(3-bromophenyl)-3-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C11H9BrN2O/c1-8-9(7-15)6-14(13-8)11-4-2-3-10(12)5-11/h2-7H,1H3 |
| InChI Key | WRVSXYHCBREXEO-UHFFFAOYSA-N |
| MDL Number | MFCD12134484 |
| Molecular Formula | C11H9BrN2O |
| Molecular Weight | 265.1060 |
| SMILES | CC1C(C=O)=CN(C2=CC(Br)=CC=C2)N=1 |
| Synonyms | 1-(3-bromophenyl)-3-methyl-1H-pyrazole-4-carbaldehyde,
1156997-06-6,
ZINC35778690,
|
| 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 | 2.4 |
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Certificate of Analysis
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