| CAS Number | 917396-39-5 |
| Catalog Number | AG00GRE9(AGN-PC-09OTZA) |
| Chemical Name | [2-Chloro-6-(trifluoromethyl)pyridin-3-yl]methanol |
| IUPAC Name | [2-chloro-6-(trifluoromethyl)pyridin-3-yl]methanol |
| InChI | InChI=1S/C7H5ClF3NO/c8-6-4(3-13)1-2-5(12-6)7(9,10)11/h1-2,13H,3H2 |
| InChI Key | WWVOQPNHXXAYKT-UHFFFAOYSA-N |
| MDL Number | MFCD11847131 |
| Molecular Formula | C7H5ClF3NO |
| Molecular Weight | 211.5689 |
| SMILES | ClC1=NC(=CC=C1CO)C(F)(F)F |
| Synonyms | 917396-39-5,
[2-Chloro-6-(trifluoromethyl)pyridin-3-yl]methanol,
(2-CHLORO-6-(TRIFLUOROMETHYL)PYRIDIN-3-YL)METHANOL,
3-Pyridinemethanol, 2-chloro-6-(trifluoromethyl)-,
2-CHLORO-6-(TRIFLUOROMETHYL)-3-PYRIDINEMETHANOL,
SCHEMBL1742466,
CTK5H0406,
DTXSID30693207,
WWVOQPNHXXAYKT-UHFFFAOYSA-N,
3164AF,
MFCD11847131,
ZINC67802430,
AS-42689,
SC-32123,
2-chloro-6-(trifluoromethyl)pyridine-3-methanol,
3-Pyridinemethanol,2-chloro-6-(trifluoromethyl)-,
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
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