| CAS Number | 1002032-66-7 |
| Catalog Number | AG00JEDH(AGN-PC-0WB9GP) |
| Chemical Name | 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)acetic acid |
| IUPAC Name | 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic acid |
| InChI | InChI=1S/C9H10F2N2O2/c10-9(11)6-3-7(5-1-2-5)13(12-6)4-8(14)15/h3,5,9H,1-2,4H2,(H,14,15) |
| InChI Key | KFYMLAWTVBTSLH-UHFFFAOYSA-N |
| MDL Number | MFCD04967182 |
| Molecular Formula | C9H10F2N2O2 |
| Molecular Weight | 216.1847 |
| SMILES | OC(CN1C(C2CC2)=CC(C(F)F)=N1)=O |
| Synonyms | 1002032-66-7,
[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid,
MFCD04967182,
(5-Cyclopropyl-3-difluoromethyl-pyrazol-1-yl)-acetic acid,
2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid,
2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)acetic acid,
2-[3-(difluoromethyl)-5-cyclopropylpyrazolyl]acetic acid,
CTK7B6544,
ZINC2534231,
SBB021155,
STK312398,
AKOS000305959,
MCULE-1899152392,
ST099259,
DB-016609,
EN300-83647,
Z2106590134,
CID7017068,
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetic Acid,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.188g/mol |
| Monoisotopic Mass | 216.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number