| CAS Number | 1204234-60-5 |
| Catalog Number | AG008Z1G(AGN-PC-0WBRF0) |
| Chemical Name | 1-(5-Bromopyridin-3-yl)-2,2,2-trifluoroethanol |
| IUPAC Name | 1-(5-bromopyridin-3-yl)-2,2,2-trifluoroethanol |
| InChI | InChI=1S/C7H5BrF3NO/c8-5-1-4(2-12-3-5)6(13)7(9,10)11/h1-3,6,13H |
| InChI Key | UOIHFOKNQVWFRH-UHFFFAOYSA-N |
| MDL Number | MFCD20527346 |
| Molecular Formula | C7H5BrF3NO |
| Molecular Weight | 256.0199 |
| SMILES | C1=C(C=NC=C1Br)C(C(F)(F)F)O |
| Synonyms | 1-(5-bromopyridin-3-yl)-2,2,2-trifluoroethanol,
1204234-60-5,
1-(5-Bromo-pyridin-3-yl)-2,2,2-trifluoro-ethanol,
SCHEMBL782786,
DTXSID30735792,
UOIHFOKNQVWFRH-UHFFFAOYSA-N,
AKOS016014574,
FCH1418312,
BBV-41920227,
SC-97423,
AX8252263,
J-510070,
1-(5-Bromopyridin-3-yl)-2,2,2-trifluoroethan-1-ol,
2-chloro-N-(3-fluorophenyl)acetamide,
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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