| CAS Number | 1354705-44-4 |
| Catalog Number | AG00J2OL |
| Chemical Name | 1-(Difluoromethyl)-4-iodo-5-methyl-1H-pyrazole |
| IUPAC Name | 1-(difluoromethyl)-4-iodo-5-methylpyrazole |
| InChI | InChI=1S/C5H5F2IN2/c1-3-4(8)2-9-10(3)5(6)7/h2,5H,1H3 |
| InChI Key | PMHORGQIWZDIFV-UHFFFAOYSA-N |
| MDL Number | MFCD21364399 |
| Molecular Formula | C5H5F2IN2 |
| Molecular Weight | 258.0079 |
| SMILES | N1(C(F)F)C(C)=C(C=N1)I |
| Synonyms | 1-(Difluoromethyl)-4-iodo-5-methyl-1H-pyrazole,
1354705-44-4,
1-(difluoromethyl)-4-iodo-5-methylpyrazole,
ALBB-018631,
ZX-AN034356,
ZX-CM010290,
MFCD21364399,
SBB074027,
STL415148,
ZINC72109528,
AKOS015920882,
FCH1563539,
MCULE-9892648008,
EN300-232761,
Y-8447,
1H-pyrazole, 1-(difluoromethyl)-4-iodo-5-methyl-,
4045395-25G,
1-(Difluoromethyl)-4-iodo-5-methyl-1H-pyrazole, AldrichCPR,
1004096-15-4,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.01g/mol |
| Monoisotopic Mass | 257.947g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number