| CAS Number | 1039053-05-8 |
| Catalog Number | AG00HA7W(AGN-PC-0WBQ5Z) |
| Chemical Name | 3-(2,4-difluorophenyl)-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 3-(2,4-difluorophenyl)-1H-pyrazole-5-carboxylic acid |
| InChI | InChI=1S/C10H6F2N2O2/c11-5-1-2-6(7(12)3-5)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16) |
| InChI Key | LRDOJMOGOIKYLF-UHFFFAOYSA-N |
| MDL Number | MFCD09749427 |
| Molecular Formula | C10H6F2N2O2 |
| Molecular Weight | 224.1636 |
| SMILES | OC(C1NN=C(C2=C(F)C=C(F)C=C2)C=1)=O |
| Synonyms | 3-(2,4-difluorophenyl)-1H-pyrazole-5-carboxylic acid,
1039053-05-8,
AC1NOFI2,
5-(2,4-difluorophenyl)-2H-pyrazole-3-carboxylic Acid,
DTXSID50408673,
ZINC6849496,
AKOS002657133,
AKOS013918256,
MCULE-2744271557,
L-3179,
5-(2,4-Difluorophenyl)-1H-pyrazole-3-carboxylic acid,
F2130-0110,
CID5137365,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.167g/mol |
| Monoisotopic Mass | 224.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number