| CAS Number | 400-69-1 |
| Catalog Number | AG00IXH9(AGN-PC-0WB2E1) |
| Chemical Name | 2-Iodo-4-nitro-6-(trifluoromethyl)aniline |
| IUPAC Name | 2-iodo-4-nitro-6-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H4F3IN2O2/c8-7(9,10)4-1-3(13(14)15)2-5(11)6(4)12/h1-2H,12H2 |
| InChI Key | BIBLFYZKPGWXNN-UHFFFAOYSA-N |
| MDL Number | MFCD14560547 |
| Molecular Formula | C7H4F3IN2O2 |
| Molecular Weight | 332.0185 |
| SMILES | IC1(=C(N)C(=CC(=C1)[N+](=O)[O-])C(F)(F)F) |
| Synonyms | 2-Iodo-4-nitro-6-(trifluoromethyl)aniline,
400-69-1,
CTK5I2785,
ZX-AP009047,
MFCD14560547,
PC7986,
ZINC43828159,
AKOS005073748,
ND-0021,
RP16654,
KS-000029Q8,
AJ-108997,
TR-070757,
4-Amino-3-iodo-5-(trifluoromethyl)nitrobenzene,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.021g/mol |
| Monoisotopic Mass | 331.927g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number