| CAS Number | 1839524-44-5 |
| Catalog Number | AG01EPOS(AGN-PC-3H471K) |
| Chemical Name | 3-fluoro-benzoicacid,(2E)-2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylene]hydrazide |
| IUPAC Name | 3-fluoro-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]benzamide |
| InChI | InChI=1S/C15H12FIN2O3/c1-22-13-6-9(5-12(17)14(13)20)8-18-19-15(21)10-3-2-4-11(16)7-10/h2-8,20H,1H3,(H,19,21)/b18-8+ |
| InChI Key | UIADDCURKKFTFW-QGMBQPNBSA-N |
| MDL Number | MFCD00813372 |
| Molecular Formula | C15H12FIN2O3 |
| Molecular Weight | 414.1703 |
| SMILES | FC=1C=C(C(=O)N/N=C/C2=CC(=C(C(=C2)OC)O)I)C=CC1 |
| Synonyms | AC1NX56G,
AC1O9IO1,
A1670/0071188,
Endosidin2, >=98% (HPLC),
STK756948,
AKOS001709460,
MCULE-9922448613,
ST047086,
3-fluoro-benzoicacid,(2E)-2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylene]hydrazide,
3-fluoro-N'-[(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide,
3-fluoro-N'-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]benzohydrazide,
3-fluoro-N'~1~-[(E)-1-(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]benzohydrazide,
N-[(1E)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1-azavinyl](3-fluorophenyl)carbox amide,
1839524-44-5,
3-fluoro-N'-[(Z)-(3-iodo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzohydrazide,
CID5720758,
CID6759409,
|
| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 413.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 414.175g/mol |
| Monoisotopic Mass | 413.988g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number