| CAS Number | 1227585-35-4 |
| Catalog Number | AG000JCL(AGN-PC-0WCT0N) |
| Chemical Name | 2-Chloro-5-(trifluoromethyl)-4-pyridinemethanol |
| IUPAC Name | [2-chloro-5-(trifluoromethyl)pyridin-4-yl]methanol |
| InChI | InChI=1S/C7H5ClF3NO/c8-6-1-4(3-13)5(2-12-6)7(9,10)11/h1-2,13H,3H2 |
| InChI Key | RUAVABQEWBMUDY-UHFFFAOYSA-N |
| MDL Number | MFCD16607489 |
| Molecular Formula | C7H5ClF3NO |
| Molecular Weight | 211.5689 |
| SMILES | C1=C(CO)C(=CN=C1Cl)C(F)(F)F |
| Synonyms | 1227585-35-4,
2-Chloro-5-(trifluoromethyl)-4-pyridinemethanol,
2-chloro-5-(trifluoromethyl)pyridine-4-methanol,
(2-Chloro-5-(trifluoromethyl)pyridin-4-yl)methanol,
[2-chloro-5-(trifluoromethyl)pyridin-4-yl]methanol,
SCHEMBL17979054,
RUAVABQEWBMUDY-UHFFFAOYSA-N,
MFCD16607489,
ZINC95616341,
AKOS027359732,
FCH1343760,
C-0434,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.568g/mol |
| Monoisotopic Mass | 211.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number