| CAS Number | 1399654-06-8 |
| Catalog Number | AG01DYQC |
| Chemical Name | 4-(4-iodophenyl)-1H-pyrazole |
| IUPAC Name | 4-(4-iodophenyl)-1H-pyrazole |
| InChI | InChI=1S/C9H7IN2/c10-9-3-1-7(2-4-9)8-5-11-12-6-8/h1-6H,(H,11,12) |
| InChI Key | YPBBBUABTHGEFM-UHFFFAOYSA-N |
| MDL Number | MFCD22421405 |
| Molecular Formula | C9H7IN2 |
| Molecular Weight | 270.0697 |
| SMILES | IC1=CC=C(C2=CNN=C2)C=C1 |
| Synonyms | 4-(4-Iodophenyl)-1H-pyrazole,
1399654-06-8,
4-(4-Iodo-phenyl)-1H-pyrazole,
SCHEMBL15214866,
ZINC85395157,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.073g/mol |
| Monoisotopic Mass | 269.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number