| CAS Number | 1239511-06-8 |
| Catalog Number | AG00AA37(AGN-PC-0WNODC) |
| Chemical Name | 4-Iodo-3,5-bis-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 4-iodo-3,5-bis(trifluoromethyl)-1H-pyrazole |
| InChI | InChI=1S/C5HF6IN2/c6-4(7,8)2-1(12)3(14-13-2)5(9,10)11/h(H,13,14) |
| InChI Key | OTYORVJCWWESOF-UHFFFAOYSA-N |
| MDL Number | MFCD11867872 |
| Molecular Formula | C5HF6IN2 |
| Molecular Weight | 329.9697 |
| SMILES | IC=1C(=NNC1C(F)(F)F)C(F)(F)F |
| Synonyms | 4-Iodo-3,5-bis(trifluoromethyl)-1h-pyrazole,
1239511-06-8,
3,5-Bis(trifluoromethyl)-4-iodo-1H-pyrazole,
4-IODO-3,5-BIS-(TRIFLUOROMETHYL)-1H-PYRAZOLE, 97%,
CTK7C3082,
ZXBA000593,
ZX-AP010145,
MFCD11867872,
PC5856,
ZINC35323444,
AKOS015960308,
FCH1407127,
K-1785,
4-Iodo-3,5-bis(trifluoromethyl)-1H-pyrazole, AldrichCPR,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.909g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.972g/mol |
| Monoisotopic Mass | 329.909g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number