| CAS Number | 1211526-84-9 |
| Catalog Number | AG0073ZJ(AGN-PC-0BS7I0) |
| Chemical Name | 4-Bromo-3-methylpicolinic acid |
| IUPAC Name | 4-bromo-3-methylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H6BrNO2/c1-4-5(8)2-3-9-6(4)7(10)11/h2-3H,1H3,(H,10,11) |
| InChI Key | NBJMGJHLRQKYKX-UHFFFAOYSA-N |
| MDL Number | MFCD18257506 |
| Molecular Formula | C7H6BrNO2 |
| Molecular Weight | 216.0320 |
| SMILES | O=C(O)C1=NC=CC(Br)=C1C |
| Synonyms | 4-bromo-3-methylpicolinic acid,
1211526-84-9,
4-bromo-3-methylpyridine-2-carboxylic acid,
AK123546,
SCHEMBL3711435,
CTK4B2209,
DTXSID10721355,
MFCD18257506,
ZINC71864101,
FCH1365613,
AJ-118869,
AX8247724,
ST24043430,
4-Bromo-3-methylpicolinicacid,
4-bromo-3-methyl-pyridine-2-carboxylic acid,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.034g/mol |
| Monoisotopic Mass | 214.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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