| CAS Number | 343781-55-5 |
| Catalog Number | AG01BBOJ(AGN-PC-0WOI24) |
| Chemical Name | 2,6-Dichloro-4-iodonicotinicacid |
| IUPAC Name | 2,6-dichloro-4-iodopyridine-3-carboxylic acid |
| InChI | InChI=1S/C6H2Cl2INO2/c7-3-1-2(9)4(6(11)12)5(8)10-3/h1H,(H,11,12) |
| InChI Key | TWRQBQHKGJYKAO-UHFFFAOYSA-N |
| MDL Number | MFCD16658922 |
| Molecular Formula | C6H2Cl2INO2 |
| Molecular Weight | 317.8961 |
| SMILES | O=C(O)C1=C(C=C(N=C1Cl)Cl)I |
| Synonyms | 2,6-dichloro-4-iodopyridine-3-carboxylic acid,
343781-55-5,
2,6-Dichloro-4-iodonicotinic acid,
2,6-dichloro-4-iodo-3-Pyridinecarboxylic acid,
SCHEMBL12563879,
MFCD16658922,
ZINC39005009,
AKOS016038718,
AS-47164,
DB-068982,
FT-0761631,
CID10543554,
2,6-dichloro-4-iodo-pyridine-3-carboxylic Acid,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.851g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.891g/mol |
| Monoisotopic Mass | 316.851g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number