| CAS Number | 956769-55-4 |
| Catalog Number | AG019K3N |
| Chemical Name | 3-(5-Formylfuran-2-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-(5-formylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C15H10N2O3/c18-9-11-8-17(12-4-2-1-3-5-12)16-15(11)14-7-6-13(10-19)20-14/h1-10H |
| InChI Key | CCOHCERQPKBHQX-UHFFFAOYSA-N |
| MDL Number | MFCD08444357 |
| Molecular Formula | C15H10N2O3 |
| Molecular Weight | 266.2515 |
| SMILES | O=CC1=CN(C2=CC=CC=C2)N=C1C3=CC=C(C=O)O3 |
| Synonyms | 3-(5-formyl-2-furyl)-1-phenyl-1H-pyrazole-4-carbaldehyde,
3-(5-formylfuran-2-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde,
956769-55-4,
AC1Q6PTX,
CTK7I0353,
ZINC12505066,
NE13859,
EN300-25407,
J-510762,
2-MERCAPTO-3H-PYRROLO[2,3-D]PYRIMIDIN-4(7H)-ONE,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.256g/mol |
| Monoisotopic Mass | 266.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number