| CAS Number | 1339182-17-0 |
| Catalog Number | AG01ALWV |
| Chemical Name | 2-(1-methyl-1H-pyrazol-5-yl)benzaldehyde |
| IUPAC Name | 2-(2-methylpyrazol-3-yl)benzaldehyde |
| InChI | InChI=1S/C11H10N2O/c1-13-11(6-7-12-13)10-5-3-2-4-9(10)8-14/h2-8H,1H3 |
| InChI Key | RUZOSLSTPRWFPY-UHFFFAOYSA-N |
| MDL Number | MFCD19620711 |
| Molecular Formula | C11H10N2O |
| Molecular Weight | 186.2099 |
| SMILES | CN1C(C2=C(C=O)C=CC=C2)=CC=N1 |
| Synonyms | 2-(1-methyl-1H-pyrazol-5-yl)benzaldehyde,
1339182-17-0,
SCHEMBL15647800,
ZINC69020243,
AKOS013277937,
N/A,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.214g/mol |
| Monoisotopic Mass | 186.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number