| CAS Number | 1065102-88-6 |
| Catalog Number | AG01FOI6(AGN-PC-0WCD2N) |
| Chemical Name | 2-Chloro-6-iodo-4-(trifluoromethyl)aniline |
| IUPAC Name | 2-chloro-6-iodo-4-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H4ClF3IN/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,13H2 |
| InChI Key | GCTGNIQJWWFHGZ-UHFFFAOYSA-N |
| MDL Number | MFCD20492612 |
| Molecular Formula | C7H4ClF3IN |
| Molecular Weight | 321.4660 |
| SMILES | c1c(cc(c(c1Cl)N)I)C(F)(F)F |
| Synonyms | 2-chloro-6-iodo-4-(trifluoromethyl)aniline,
1065102-88-6,
2-chloro-6-iodo-4-(trifluoromethyl)benzenamine,
SCHEMBL978300,
GCTGNIQJWWFHGZ-UHFFFAOYSA-N,
BBL101586,
STL555382,
ZINC95627768,
AKOS007930060,
DB-112004,
Y-9944,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.90291g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.46g/mol |
| Monoisotopic Mass | 320.90291g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number