| CAS Number | 530080-17-2 |
| Catalog Number | AG00DHZ9(AGN-PC-02JRA3) |
| Chemical Name | 1-Iodo-4-(2,2,2-trifluoroethoxy)benzene |
| IUPAC Name | 1-iodo-4-(2,2,2-trifluoroethoxy)benzene |
| InChI | InChI=1S/C8H6F3IO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5H2 |
| InChI Key | FESYDYJCAHUCAT-UHFFFAOYSA-N |
| MDL Number | MFCD08458086 |
| Molecular Formula | C8H6F3IO |
| Molecular Weight | 302.0323 |
| SMILES | IC1(=CC=C(OCC(F)(F)F)C=C1) |
| Synonyms | 1-iodo-4-(2,2,2-trifluoroethoxy)benzene,
530080-17-2,
4-(2,2,2-Trifluoroethoxy)iodobenzene,
SCHEMBL9458453,
CTK7B7206,
KS-00003QZK,
DTXSID30599679,
MFCD08458086,
ZINC16158511,
AKOS010660127,
PS-7127,
RT-009090,
K-9635,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.035g/mol |
| Monoisotopic Mass | 301.942g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number