| CAS Number | 1216282-97-1 |
| Catalog Number | AG0015FM(AGN-PC-0WBQ4Z) |
| Chemical Name | 6-BROMO-5-HYDROXYNICOTINIC ACID |
| IUPAC Name | 6-bromo-5-hydroxypyridine-3-carboxylic acid |
| InChI | InChI=1S/C6H4BrNO3/c7-5-4(9)1-3(2-8-5)6(10)11/h1-2,9H,(H,10,11) |
| InChI Key | JGJIXEBLVBJNLJ-UHFFFAOYSA-N |
| MDL Number | MFCD13705331 |
| Molecular Formula | C6H4BrNO3 |
| Molecular Weight | 218.0049 |
| SMILES | OC(C1=CC(O)=C(Br)N=C1)=O |
| Synonyms | 6-bromo-5-hydroxynicotinic acid,
1216282-97-1,
6-bromo-5-hydroxypyridine-3-carboxylic acid,
6-Bromo-5-hydroxy-nicotinic acid,
CTK8D3741,
DTXSID80673690,
6-?bromo-?5-?hydroxynicotinic acid,
SBB081639,
STL490550,
ZINC40165649,
AKOS000276544,
MCULE-5029069592,
SC-91035,
AB0168002,
TC-072373,
3-Pyridinecarboxylic acid, 6-bromo-5-hydroxy-,
L-4210,
F1957-0118,
Z2471213564,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.006g/mol |
| Monoisotopic Mass | 216.937g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number