| CAS Number | 1188375-17-8 |
| Catalog Number | AG00HESS(AGN-PC-0WAYF8) |
| Chemical Name | 3-(3-Fluorophenyl)-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 3-(3-fluorophenyl)-1H-pyrazole-5-carboxylic acid |
| InChI | InChI=1S/C10H7FN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15) |
| InChI Key | FMJUQKZHSLNVNW-UHFFFAOYSA-N |
| MDL Number | MFCD13248834 |
| Molecular Formula | C10H7FN2O2 |
| Molecular Weight | 206.1732 |
| SMILES | OC(C1=NNC(C2=CC(F)=CC=C2)=C1)=O |
| Synonyms | 3-(3-FLUOROPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID,
1188375-17-8,
5-(3-Fluorophenyl)-1H-pyrazole-3-carboxylic acid,
SCHEMBL70801,
FMJUQKZHSLNVNW-UHFFFAOYSA-N,
KS-00001NH4,
BBL036269,
HTS001410,
MFCD18433870,
STL484954,
ZINC70225495,
AKOS009143451,
AKOS015966517,
BS-3129,
MCULE-2499203523,
PC200478,
5-(3-fluoro-phenyl)-1H-pyrazole-3-carboxylic acid,
F1967-2694,
C10H7FN2O2,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.176g/mol |
| Monoisotopic Mass | 206.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number