| CAS Number | 1256790-84-7 |
| Catalog Number | AG009YC2(AGN-PC-0WAL8M) |
| Chemical Name | 4-Bromo-2-fluoropyridine-3-carboxylic acid |
| IUPAC Name | 4-bromo-2-fluoropyridine-3-carboxylic acid |
| InChI | InChI=1S/C6H3BrFNO2/c7-3-1-2-9-5(8)4(3)6(10)11/h1-2H,(H,10,11) |
| InChI Key | JHWSPGKURCYLMN-UHFFFAOYSA-N |
| MDL Number | MFCD18258640 |
| Molecular Formula | C6H3BrFNO2 |
| Molecular Weight | 219.9959 |
| SMILES | C1=CN=C(C(=C1Br)C(=O)O)F |
| Synonyms | 1256790-84-7,
4-Bromo-2-fluoropyridine-3-carboxylic acid,
4-Bromo-2-fluoronicotinic acid,
MFCD18258640,
ZINC95628499,
AS-40983,
4-Bromo-2-fluoronicotinic acid, AldrichCPR,
A1-07250,
4-bromo-2-fluoropyridine-3-carboxylic acid, 95% - 1G 1g,
|
| 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 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number