| CAS Number | 1060810-68-5 |
| Catalog Number | AG008Z3M(AGN-PC-0BSKAI) |
| Chemical Name | 4-Bromo-6-(trifluoromethyl)picolinic acid |
| IUPAC Name | 4-bromo-6-(trifluoromethyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H3BrF3NO2/c8-3-1-4(6(13)14)12-5(2-3)7(9,10)11/h1-2H,(H,13,14) |
| InChI Key | OYRSVVDCWKNPHQ-UHFFFAOYSA-N |
| MDL Number | MFCD13188813 |
| Molecular Formula | C7H3BrF3NO2 |
| Molecular Weight | 270.0034 |
| SMILES | OC(=O)C1=NC(=CC(Br)=C1)C(F)(F)F |
| Synonyms | 4-bromo-6-(trifluoromethyl)picolinic acid,
1060810-68-5,
4-BROMO-6-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID,
SCHEMBL2395464,
CTK4A4340,
DTXSID90724501,
OYRSVVDCWKNPHQ-UHFFFAOYSA-N,
MFCD13188813,
ZINC71864106,
AKOS016011849,
AB67176,
FCH1381032,
AK123506,
AS-40766,
AJ-118871,
AX8247684,
ST24043455,
4-Bromo-6-trifluoromethyl-pyridine-2-carboxylic acid,
4-Bromo-6-(trifluoromethyl)picolinicacid,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.005g/mol |
| Monoisotopic Mass | 268.93g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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