| CAS Number | 845866-91-3 |
| Catalog Number | AG01DDKF(AGN-PC-0KKOHC) |
| Chemical Name | 1-Chloro-2-iodo-4-(trifluoromethoxy)benzene |
| IUPAC Name | 1-chloro-2-iodo-4-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C7H3ClF3IO/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3H |
| InChI Key | DYJFXGGNDZJXOA-UHFFFAOYSA-N |
| MDL Number | MFCD06657978 |
| Molecular Formula | C7H3ClF3IO |
| Molecular Weight | 322.4508 |
| SMILES | ClC1=C(C=C(C=C1)OC(F)(F)F)I |
| Synonyms | 1-Chloro-2-iodo-4-trifluoromethoxybenzene,
1-chloro-2-iodo-4-(trifluoromethoxy)benzene,
845866-91-3,
AC1MC4EK,
SCHEMBL1275598,
CTK6H1218,
ZINC4290338,
FS-4991,
ZINC04290338,
CID2761198,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.887g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.45g/mol |
| Monoisotopic Mass | 321.887g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number