| CAS Number | 898288-96-5 |
| Catalog Number | AG00H2QZ(AGN-PC-0WBEZZ) |
| Chemical Name | 5-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 5-iodo-1-methyl-3-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C5H4F3IN2/c1-11-4(9)2-3(10-11)5(6,7)8/h2H,1H3 |
| InChI Key | SCJIXDIGFNQGEH-UHFFFAOYSA-N |
| MDL Number | MFCD28962867 |
| Molecular Formula | C5H4F3IN2 |
| Molecular Weight | 275.9983 |
| SMILES | CN1C(I)=CC(C(F)(F)F)=N1 |
| Synonyms | 5-iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole,
898288-96-5,
SCHEMBL16705384,
SCJIXDIGFNQGEH-UHFFFAOYSA-N,
MFCD28962867,
STL415507,
AKOS025255572,
ZINC223254098,
MCULE-1564332268,
5-Iodo-1-methyl-3-trifluoromethyl-1H-pyrazole,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.001g/mol |
| Monoisotopic Mass | 275.937g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number