| CAS Number | 1359828-97-9 |
| Catalog Number | AG00HUFD(AGN-PC-0WD15A) |
| Chemical Name | (5-Bromo-2-(trifluoromethyl)pyridin-4-yl)methanol |
| IUPAC Name | [5-bromo-2-(trifluoromethyl)pyridin-4-yl]methanol |
| InChI | InChI=1S/C7H5BrF3NO/c8-5-2-12-6(7(9,10)11)1-4(5)3-13/h1-2,13H,3H2 |
| InChI Key | ZKIRNZJSGHLPOH-UHFFFAOYSA-N |
| MDL Number | MFCD21365105 |
| Molecular Formula | C7H5BrF3NO |
| Molecular Weight | 256.0199 |
| SMILES | OCC1=CC(C(F)(F)F)=NC=C1Br |
| Synonyms | (5-Bromo-2-(trifluoromethyl)pyridin-4-yl)methanol,
1359828-97-9,
[5-bromo-2-(trifluoromethyl)pyridin-4-yl]methanol,
SCHEMBL20703550,
DTXSID50856251,
ZINC95093084,
FCH1563718,
AS-41649,
AJ-132182,
AX8248124,
5-Bromo-2-(trifluoromethyl)pyridine-4-methanol,
C-0535,
|
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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