| CAS Number | 1065101-52-1 |
| Catalog Number | AG01BTZ6 |
| Chemical Name | 3,4,6-trifluoro-2-iodoaniline |
| IUPAC Name | 3,4,6-trifluoro-2-iodoaniline |
| InChI | InChI=1S/C6H3F3IN/c7-2-1-3(8)6(11)5(10)4(2)9/h1H,11H2 |
| InChI Key | NLBADBUEJHRKAI-UHFFFAOYSA-N |
| MDL Number | MFCD11054254 |
| Molecular Formula | C6H3F3IN |
| Molecular Weight | 272.9944 |
| SMILES | NC1=C(F)C=C(F)C(F)=C1I |
| Synonyms | 3,4,6-trifluoro-2-iodoaniline,
1065101-52-1,
2-iodo-3,4,6-trifluoroaniline,
ZINC89065417,
AKOS017561205,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.997g/mol |
| Monoisotopic Mass | 272.926g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number