| CAS Number | 1152974-89-4 |
| Catalog Number | AG019S74 |
| Chemical Name | 3-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C11H8F2N2O3/c12-11(13)18-7-3-1-2-6(4-7)9-8(10(16)17)5-14-15-9/h1-5,11H,(H,14,15)(H,16,17) |
| InChI Key | KLKTXWKBFAZFCZ-UHFFFAOYSA-N |
| MDL Number | MFCD11540908 |
| Molecular Formula | C11H8F2N2O3 |
| Molecular Weight | 254.1896 |
| SMILES | OC(C1C(C2=CC(OC(F)F)=CC=C2)=NNC=1)=O |
| Synonyms | 3-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxylic acid,
1152974-89-4,
ZINC37326765,
AKOS009317382,
MCULE-2487442398,
NE27392,
EN300-92029,
Z1263820251,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.193g/mol |
| Monoisotopic Mass | 254.05g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number