| CAS Number | 1153042-50-2 |
| Catalog Number | AG00HCZ0(AGN-PC-0WP1LT) |
| Chemical Name | 1-(2-Bromophenyl)pyrazole-4-carbaldehyde |
| IUPAC Name | 1-(2-bromophenyl)pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C10H7BrN2O/c11-9-3-1-2-4-10(9)13-6-8(7-14)5-12-13/h1-7H |
| InChI Key | NUURKSIVEHOZPG-UHFFFAOYSA-N |
| MDL Number | MFCD09054741 |
| Molecular Formula | C10H7BrN2O |
| Molecular Weight | 251.0794 |
| SMILES | BrC1=C(N2N=CC(C=O)=C2)C=CC=C1 |
| Synonyms | 1153042-50-2,
1-(2-bromophenyl)pyrazole-4-carbaldehyde,
1-(2-Bromophenyl)-1H-pyrazole-4-carbaldehyde,
1H-Pyrazole-4-carboxaldehyde, 1-(2-bromophenyl)-,
ZINC35778916,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.083g/mol |
| Monoisotopic Mass | 249.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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