| CAS Number | 1206997-40-1 |
| Catalog Number | AG01AQPU |
| Chemical Name | [4-(4-Fluorophenyl)-1H-pyrazol-1-yl]acetic acid |
| IUPAC Name | 2-[4-(4-fluorophenyl)pyrazol-1-yl]acetic acid |
| InChI | InChI=1S/C11H9FN2O2/c12-10-3-1-8(2-4-10)9-5-13-14(6-9)7-11(15)16/h1-6H,7H2,(H,15,16) |
| InChI Key | HNRVNRSDDPRFAQ-UHFFFAOYSA-N |
| MDL Number | MFCD16653380 |
| Molecular Formula | C11H9FN2O2 |
| Molecular Weight | 220.1998 |
| SMILES | FC1=CC=C(C=C1)C=1C=NN(C1)CC(=O)O |
| Synonyms | [4-(4-fluorophenyl)-1H-pyrazol-1-yl]acetic acid,
1206997-40-1,
2-(4-(4-fluorophenyl)-1H-pyrazol-1-yl)acetic acid,
STL302077,
ZINC43830641,
AKOS015957337,
MCULE-3977852241,
[4-(4-fluorophenyl)pyrazol-1-yl]acetic acid,
L-2895,
F2167-0191,
2-[4-(4-fluorophenyl)pyrazol-1-yl]acetic acid,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.203g/mol |
| Monoisotopic Mass | 220.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number