| CAS Number | 639784-65-9 |
| Catalog Number | AG00IBB2(AGN-PC-079711) |
| Chemical Name | (1-METHYL-3-(4-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOL-5-YL)METHANOL |
| IUPAC Name | [2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol |
| InChI | InChI=1S/C12H11F3N2O/c1-17-10(7-18)6-11(16-17)8-2-4-9(5-3-8)12(13,14)15/h2-6,18H,7H2,1H3 |
| InChI Key | QOFNWGFKSVNBTA-UHFFFAOYSA-N |
| MDL Number | MFCD17926173 |
| Molecular Formula | C12H11F3N2O |
| Molecular Weight | 256.2237 |
| SMILES | FC(C1C=CC(=CC=1)C1C=C(CO)N(C)N=1)(F)F |
| Synonyms | (1-METHYL-3-(4-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOL-5-YL)METHANOL,
639784-65-9,
SCHEMBL4685144,
QOFNWGFKSVNBTA-UHFFFAOYSA-N,
MFCD17926173,
ZINC66054515,
AKOS026670889,
AS-35449,
DA-04828,
AX8266427,
CS-0061734,
FT-0733536,
X-2507,
[2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol,
[2-methyl-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-yl]-methanol,
1H-Pyrazole-5-methanol, 1-methyl-3-[4-(trifluoromethyl)phenyl]-,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.228g/mol |
| Monoisotopic Mass | 256.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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