| CAS Number | 1227502-97-7 |
| Catalog Number | AG000J9T(AGN-PC-0WAZO5) |
| Chemical Name | (2-Chloro-4-(trifluoromethyl)pyridin-3-yl)methanol |
| IUPAC Name | [2-chloro-4-(trifluoromethyl)pyridin-3-yl]methanol |
| InChI | InChI=1S/C7H5ClF3NO/c8-6-4(3-13)5(1-2-12-6)7(9,10)11/h1-2,13H,3H2 |
| InChI Key | FNEOFCQITLTNEO-UHFFFAOYSA-N |
| MDL Number | MFCD16610729 |
| Molecular Formula | C7H5ClF3NO |
| Molecular Weight | 211.5689 |
| SMILES | ClC1(=NC=CC(=C1CO)C(F)(F)F) |
| Synonyms | 1227502-97-7,
[2-chloro-4-(trifluoromethyl)pyridin-3-yl]methanol,
(2-Chloro-4-(trifluoromethyl)pyridin-3-yl)methanol,
SCHEMBL7043427,
KS-00001Q5K,
ZX-RL002745,
2555AD,
ZINC95828980,
AKOS016339791,
FCH1344786,
GH-0708,
PC200205,
2-chloro-4-(trifluoromethyl)pyridine-3-methanol,
C7H5ClF3NO,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number