| CAS Number | 647025-62-5 |
| Catalog Number | AG00H8BV(AGN-PC-02L27E) |
| Chemical Name | Benzenamine, 4-fluoro-3-iodo- |
| IUPAC Name | 4-fluoro-3-iodoaniline |
| InChI | InChI=1S/C6H5FIN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2 |
| InChI Key | ZMIKWUHTLFMITC-UHFFFAOYSA-N |
| MDL Number | MFCD18396914 |
| Molecular Formula | C6H5FIN |
| Molecular Weight | 237.0135 |
| SMILES | Nc1ccc(c(c1)I)F |
| Synonyms | 4-fluoro-3-iodoaniline,
647025-62-5,
Benzenamine, 4-fluoro-3-iodo-,
3-iodo-4-fluoroaniline,
SCHEMBL1029460,
CTK2A3825,
DTXSID40600649,
ZMIKWUHTLFMITC-UHFFFAOYSA-N,
MFCD18396914,
ZINC90598478,
AKOS030582005,
PS-11911,
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| Complexity | 99.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.016g/mol |
| Monoisotopic Mass | 236.945g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number