| CAS Number | 873840-42-7 |
| Catalog Number | AG01EY1I(AGN-PC-0I8HY6) |
| Chemical Name | 4-Chloro-2-iodobenzotrifluoride |
| IUPAC Name | 4-chloro-2-iodo-1-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H3ClF3I/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3H |
| InChI Key | JVKIDYOAEIQDFD-UHFFFAOYSA-N |
| MDL Number | MFCD00060662 |
| Molecular Formula | C7H3ClF3I |
| Molecular Weight | 306.4514 |
| SMILES | ClC1=CC(=C(C=C1)C(F)(F)F)I |
| Synonyms | 4-Chloro-2-iodobenzotrifluoride,
873840-42-7,
4-Chloro-2-iodo-1-(trifluoromethyl)benzene,
SCHEMBL4484774,
DTXSID60739647,
ZINC95147667,
AKOS024437909,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.892g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.451g/mol |
| Monoisotopic Mass | 305.892g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number