| CAS Number | 1261622-18-7 |
| Catalog Number | AG01BICI |
| Chemical Name | 3-Iodo-4-(Trifluoromethyl)Aniline |
| IUPAC Name | 3-iodo-4-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H5F3IN/c8-7(9,10)5-2-1-4(12)3-6(5)11/h1-3H,12H2 |
| InChI Key | PYSOXGITBVGUIG-UHFFFAOYSA-N |
| MDL Number | MFCD18398111 |
| Molecular Formula | C7H5F3IN |
| Molecular Weight | 287.0210 |
| SMILES | NC1=CC=C(C(F)(F)F)C(I)=C1 |
| Synonyms | 3-iodo-4-(trifluoromethyl)aniline,
1261622-18-7,
SCHEMBL3403582,
AKOS034038090,
ZINC169798182,
Z2805895054,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.024g/mol |
| Monoisotopic Mass | 286.942g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number