| CAS Number | 185853-85-4 |
| Catalog Number | AG019KXT(AGN-PC-0O5GGU) |
| Chemical Name | 2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol |
| IUPAC Name | 2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol |
| InChI | InChI=1S/C6H7F3N2O/c7-6(8,9)5-4(1-2-12)3-10-11-5/h3,12H,1-2H2,(H,10,11) |
| InChI Key | LCGDQQZYWOMJAW-UHFFFAOYSA-N |
| MDL Number | MFCD07779815 |
| Molecular Formula | C6H7F3N2O |
| Molecular Weight | 180.1278 |
| SMILES | OCCC1C(C(F)(F)F)=NNC=1 |
| Synonyms | 2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol,
185853-85-4,
2-(3-(trifluoromethyl)-1H-pyrazol-4-yl)ethanol,
2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol,
AC1Q7CK3,
SCHEMBL68054,
CTK8A3740,
CTK8F3948,
LCGDQQZYWOMJAW-UHFFFAOYSA-N,
ZINC12505876,
AKOS022225610,
NE30967,
3-Trifluoromethyl-1H-pyrazole-4-ethanol,
2-(3-trifluoromethylpyrazol-4-yl)-ethanol,
CS-0080478,
EN300-28925,
2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol,
F8881-2478,
Z283686108,
CID10678923,
2-[3-(trifluoromethyl)-2H-pyrazol-4-yl]ethanol,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.13g/mol |
| Monoisotopic Mass | 180.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number