| CAS Number | 1935952-84-3 |
| Catalog Number | AG00I2ZL(AGN-PC-0WNGNZ) |
| Chemical Name | Ethyl 4-amino-6-chloro-5-iodonicotinate |
| IUPAC Name | ethyl 4-amino-6-chloro-5-iodopyridine-3-carboxylate |
| InChI | InChI=1S/C8H8ClIN2O2/c1-2-14-8(13)4-3-12-7(9)5(10)6(4)11/h3H,2H2,1H3,(H2,11,12) |
| InChI Key | LEKLWRRXLQTERQ-UHFFFAOYSA-N |
| MDL Number | MFCD28559209 |
| Molecular Formula | C8H8ClIN2O2 |
| Molecular Weight | 326.5188 |
| SMILES | CCOC(=O)c1cnc(c(c1N)I)Cl |
| Synonyms | ethyl 4-amino-6-chloro-5-iodonicotinate,
1935952-84-3,
KS-00000U9M,
MFCD28559209,
AKOS030632072,
ZINC216078945,
AK684414,
DS-20100,
CS-0059757,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.932g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.518g/mol |
| Monoisotopic Mass | 325.932g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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