| CAS Number | 1443279-46-6 |
| Catalog Number | AG01AOS9(AGN-PC-0WBEV1) |
| Chemical Name | 4-iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 4-iodo-1-methyl-5-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C5H4F3IN2/c1-11-4(5(6,7)8)3(9)2-10-11/h2H,1H3 |
| InChI Key | ZSAGEQHGJLVMRX-UHFFFAOYSA-N |
| MDL Number | MFCD25949485 |
| Molecular Formula | C5H4F3IN2 |
| Molecular Weight | 275.9983 |
| SMILES | CN1C(C(F)(F)F)=C(I)C=N1 |
| Synonyms | 4-iodo-1-methyl-5-(trifluoromethyl)-1H-pyrazole,
1443279-46-6,
SCHEMBL16705383,
MFCD25949485,
STL415513,
ZINC95098687,
AKOS025255574,
MCULE-3300715932,
4-Iodo-1-methyl-5-trifluoromethyl-1H-pyrazole,
|
| 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
Certificate of Analysis
Lot Number