| CAS Number | 1152510-74-1 |
| Catalog Number | AG019WTO |
| Chemical Name | 3-(1-benzofuran-2-yl)-1-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-(1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C13H10N2O2/c1-15-7-10(8-16)13(14-15)12-6-9-4-2-3-5-11(9)17-12/h2-8H,1H3 |
| InChI Key | FIJDQZJKNTVBAU-UHFFFAOYSA-N |
| MDL Number | MFCD11180161 |
| Molecular Formula | C13H10N2O2 |
| Molecular Weight | 226.2307 |
| SMILES | CN1N=C(C2OC3=C(C=CC=C3)C=2)C(C=O)=C1 |
| Synonyms | 3-(1-benzofuran-2-yl)-1-methyl-1H-pyrazole-4-carbaldehyde,
1152510-74-1,
AC1Q3YT4,
CTK7I0287,
ZINC36894401,
AKOS005876348,
MCULE-4991500879,
NE47776,
EN300-53112,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.235g/mol |
| Monoisotopic Mass | 226.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number