| CAS Number | 1489145-82-5 |
| Catalog Number | AG01AOWO(AGN-PC-0WBF1I) |
| Chemical Name | 2-(3-(Difluoromethyl)-1H-pyrazol-1-yl)acetic acid |
| IUPAC Name | 2-[3-(difluoromethyl)pyrazol-1-yl]acetic acid |
| InChI | InChI=1S/C6H6F2N2O2/c7-6(8)4-1-2-10(9-4)3-5(11)12/h1-2,6H,3H2,(H,11,12) |
| InChI Key | JPQWBOAZSRCZGT-UHFFFAOYSA-N |
| MDL Number | MFCD21668367 |
| Molecular Formula | C6H6F2N2O2 |
| Molecular Weight | 176.1208 |
| SMILES | OC(CN1N=C(C(F)F)C=C1)=O |
| Synonyms | 1489145-82-5,
2-(3-(Difluoromethyl)-1H-pyrazol-1-yl)acetic acid,
2-[3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid,
MFCD21668367,
ZINC85020543,
AKOS015357511,
[3-(Difluoromethyl)-1H-pyrazol-1-yl]acetic acid,
(3-Difluoromethyl-pyrazol-1-yl)-acetic acid,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.123g/mol |
| Monoisotopic Mass | 176.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Lot Number