| CAS Number | 1238062-17-3 |
| Catalog Number | AG000L3H(AGN-PC-0WCY9S) |
| Chemical Name | 3-iodo-4-phenyl-1H-pyrazole |
| IUPAC Name | 5-iodo-4-phenyl-1H-pyrazole |
| InChI | InChI=1S/C9H7IN2/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12) |
| InChI Key | AJCZFZMBKGJTRS-UHFFFAOYSA-N |
| MDL Number | MFCD17926247 |
| Molecular Formula | C9H7IN2 |
| Molecular Weight | 270.0697 |
| SMILES | IC1C(C2=CC=CC=C2)=CNN=1 |
| Synonyms | 3-IODO-4-PHENYL-1H-PYRAZOLE,
1238062-17-3,
5-iodo-4-phenyl-1H-pyrazole,
DTXSID50694998,
1H-Pyrazole, 3-iodo-4-phenyl-,
MFCD17926247,
ZINC66054593,
FCH1362279,
AK204504,
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| Complexity | 146 |
| 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 |
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Certificate of Analysis
Lot Number