| CAS Number | 1595608-37-9 |
| Catalog Number | AG01DVQG |
| Chemical Name | 1-[(4-Fluorophenyl)methyl]-1H-pyrazol-4-ol |
| IUPAC Name | 1-[(4-fluorophenyl)methyl]pyrazol-4-ol |
| InChI | InChI=1S/C10H9FN2O/c11-9-3-1-8(2-4-9)6-13-7-10(14)5-12-13/h1-5,7,14H,6H2 |
| InChI Key | RPWHOGBRQYMQOA-UHFFFAOYSA-N |
| MDL Number | MFCD30483251 |
| Molecular Formula | C10H9FN2O |
| Molecular Weight | 192.1897 |
| SMILES | OC1=CN(CC2=CC=C(F)C=C2)N=C1 |
| Synonyms | 1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-ol,
1595608-37-9,
SCHEMBL16095293,
RPWHOGBRQYMQOA-UHFFFAOYSA-N,
ZINC161878945,
1-(4-fluorobenzyl)-1H-pyrazol-4-ol,
1-(4-Fluoro-benzyl)-1H-pyrazol-4-ol,
A1-08171,
F2147-7211,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.193g/mol |
| Monoisotopic Mass | 192.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number