| CAS Number | 1052714-48-3 |
| Catalog Number | AG007WRG(AGN-PC-0J0Y5K) |
| Chemical Name | 6-Bromo-3-fluoropicolinic acid |
| IUPAC Name | 6-bromo-3-fluoropyridine-2-carboxylic acid |
| InChI | InChI=1S/C6H3BrFNO2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,(H,10,11) |
| InChI Key | XCYYBWHCNWDFMO-UHFFFAOYSA-N |
| MDL Number | MFCD13185805 |
| Molecular Formula | C6H3BrFNO2 |
| Molecular Weight | 219.9959 |
| SMILES | O=C(O)C1=NC(Br)=CC=C1F |
| Synonyms | 6-Bromo-3-fluoropicolinic acid,
1052714-48-3,
6-bromo-3-fluoropyridine-2-carboxylic acid,
6-Bromo-3-fluoropicolinicacid,
6-BROMO-3-FLUORO-2-PYRIDINECARBOXYLIC ACID,
SCHEMBL1711432,
CTK8C2724,
DTXSID80743665,
XCYYBWHCNWDFMO-UHFFFAOYSA-N,
ANW-68917,
MFCD13185805,
ZINC85221912,
AKOS016006033,
AS-42607,
SC-69379,
AB0083706,
AJ-127177,
TC-157662,
Z-1483,
Z2216720872,
ACN-056343,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.933g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.997g/mol |
| Monoisotopic Mass | 218.933g/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
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number