| CAS Number | 1221724-52-2 |
| Catalog Number | AG019XVG(AGN-PC-0WO8NF) |
| Chemical Name | 2-[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid |
| IUPAC Name | 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetic acid |
| InChI | InChI=1S/C8H10F2N2O2/c1-4-6(3-7(13)14)5(2)12(11-4)8(9)10/h8H,3H2,1-2H3,(H,13,14) |
| InChI Key | FVFASAFOCBCBNF-UHFFFAOYSA-N |
| MDL Number | MFCD13368218 |
| Molecular Formula | C8H10F2N2O2 |
| Molecular Weight | 204.1740 |
| SMILES | CC1C(CC(O)=O)=C(C)N(C(F)F)N=1 |
| Synonyms | 2-[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid,
1221724-52-2,
AC1Q2PLM,
CTK7J2101,
ZINC39947463,
AKOS010969309,
MCULE-5916363589,
NE15755,
EN300-56141,
Z857667048,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.177g/mol |
| Monoisotopic Mass | 204.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number