| CAS Number | 917397-92-3 |
| Catalog Number | AG00IGUX(AGN-PC-0VV8MX) |
| Chemical Name | 2-Pyridinemethanol, 5-bromo-a-(trifluoromethyl)- |
| IUPAC Name | 1-(5-bromopyridin-2-yl)-2,2,2-trifluoroethanol |
| InChI | InChI=1S/C7H5BrF3NO/c8-4-1-2-5(12-3-4)6(13)7(9,10)11/h1-3,6,13H |
| InChI Key | CUZRCEJNPBFIDE-UHFFFAOYSA-N |
| MDL Number | MFCD18909491 |
| Molecular Formula | C7H5BrF3NO |
| Molecular Weight | 256.0199 |
| SMILES | FC(F)(F)C(O)C1=NC=C(Br)C=C1 |
| Synonyms | 1-(5-bromopyridin-2-yl)-2,2,2-trifluoroethanol,
917397-92-3,
1-(5-Bromopyridin-2-yl)-2,2,2-trifluoroethan-1-ol,
SCHEMBL2147552,
DTXSID40736790,
CUZRCEJNPBFIDE-UHFFFAOYSA-N,
AKOS016014549,
RL05778,
4CH-005731,
CS-0060448,
2-Pyridinemethanol, 5-bromo-a-(trifluoromethyl)-,
A1-07376,
J-503410,
(RS)-1-(5-bromo-pyridin-2-yl)-2,2,2-trifluoro-ethanol,
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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 | 254.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.022g/mol |
| Monoisotopic Mass | 254.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number