| CAS Number | 1211538-62-3 |
| Catalog Number | AG009HLP(AGN-PC-07QVEJ) |
| Chemical Name | Methyl 3-bromo-6-(trifluoromethyl)picolinate |
| IUPAC Name | methyl 3-bromo-6-(trifluoromethyl)pyridine-2-carboxylate |
| InChI | InChI=1S/C8H5BrF3NO2/c1-15-7(14)6-4(9)2-3-5(13-6)8(10,11)12/h2-3H,1H3 |
| InChI Key | FZNHWZAWAMWBSA-UHFFFAOYSA-N |
| MDL Number | MFCD14698134 |
| Molecular Formula | C8H5BrF3NO2 |
| Molecular Weight | 284.0300 |
| SMILES | O=C(OC)C1=NC(C(F)(F)F)=CC=C1Br |
| Synonyms | Methyl 3-bromo-6-(trifluoromethyl)picolinate,
1211538-62-3,
methyl 3-bromo-6-(trifluoromethyl)pyridine-2-carboxylate,
DTXSID30673246,
MFCD14698134,
ZINC47202562,
AKOS016010326,
DS-4541,
AK116096,
AJ-110662,
methyl 3-bromo-6-(trifluoromethyl)-2-pyridinecarboxylate,
Z1509642863,
Methyl3-bromo-6-(trifluoromethyl)picolinate,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.032g/mol |
| Monoisotopic Mass | 282.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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