| CAS Number | 33284-19-4 |
| Catalog Number | AG007GGR(AGN-PC-0WNRJD) |
| Chemical Name | 2,2,2-Trifluoro-1-(pyridin-3-yl)ethane-1,1-diol |
| IUPAC Name | 2,2,2-trifluoro-1-pyridin-3-ylethane-1,1-diol |
| InChI | InChI=1S/C7H6F3NO2/c8-7(9,10)6(12,13)5-2-1-3-11-4-5/h1-4,12-13H |
| InChI Key | MGERZEHUPJXPKJ-UHFFFAOYSA-N |
| MDL Number | MFCD17676630 |
| Molecular Formula | C7H6F3NO2 |
| Molecular Weight | 193.1232 |
| SMILES | OC(O)(C1=CC=CN=C1)C(F)(F)F |
| Synonyms | 2,2,2-trifluoro-1-(pyridin-3-yl)ethane-1,1-diol,
33284-19-4,
CTK8D3971,
DTXSID60616520,
MFCD17676630,
ZINC66327904,
AKOS015891838,
DS-7244,
MCULE-2133264322,
NE20694,
AK141274,
AB0072845,
AJ-116083,
TC-072034,
I02-2546,
Z1795818107,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.125g/mol |
| Monoisotopic Mass | 193.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number