| CAS Number | 1214323-63-3 |
| Catalog Number | AG00HG4L(AGN-PC-0WR2AM) |
| Chemical Name | 2-Bromo-6-fluoroisonicotinic acid |
| IUPAC Name | 2-bromo-6-fluoropyridine-4-carboxylic acid |
| InChI | InChI=1S/C6H3BrFNO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H,10,11) |
| InChI Key | JDJPGZOLCTWSAW-UHFFFAOYSA-N |
| MDL Number | MFCD13185799 |
| Molecular Formula | C6H3BrFNO2 |
| Molecular Weight | 219.9959 |
| SMILES | C1=C(C=C(F)N=C1Br)C(=O)O |
| Synonyms | 1214323-63-3,
2-BROMO-6-FLUORO-4-PYRIDINECARBOXYLIC ACID,
2-BROMO-6-FLUOROISONICOTINIC ACID,
SCHEMBL20202139,
MFCD13185799,
ZINC95761191,
AKOS027322058,
AB66790,
ACN-056340,
AS-39264,
2-BROMO-6-FLUOROPYRIDINE-4-CARBOXYLIC ACID,
N/A,
|
| 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
Certificate of Analysis
Lot Number