| CAS Number | 1602859-53-9 |
| Catalog Number | AG00ANEY(AGN-PC-0WNGEE) |
| Chemical Name | 4-Chloro-7-fluoro-3-iodo-6-methoxyquinoline |
| IUPAC Name | 4-chloro-7-fluoro-3-iodo-6-methoxyquinoline |
| InChI | InChI=1S/C10H6ClFINO/c1-15-9-2-5-8(3-6(9)12)14-4-7(13)10(5)11/h2-4H,1H3 |
| InChI Key | JOLRWGDFPFFFJG-UHFFFAOYSA-N |
| MDL Number | MFCD28139442 |
| Molecular Formula | C10H6ClFINO |
| Molecular Weight | 337.5166 |
| SMILES | COC2=C(F)C=C1N=CC(I)=C(Cl)C1=C2 |
| Synonyms | 4-Chloro-7-fluoro-3-iodo-6-methoxyquinoline,
1602859-53-9,
4-Chloro-7-fluoro-3-iodo-6-methoxy-quinoline,
KS-00000TKL,
BCP18360,
MFCD28139442,
AKOS026743093,
ZINC165889501,
CS-W018468,
AK535344,
DS-19106,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.917g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.517g/mol |
| Monoisotopic Mass | 336.917g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number