| CAS Number | 1261752-45-7 |
| Catalog Number | AG01AM95 |
| Chemical Name | 1-Iodo-2-methoxy-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-iodo-2-methoxy-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6F3IO/c1-13-7-4-5(8(9,10)11)2-3-6(7)12/h2-4H,1H3 |
| InChI Key | PIQHCAIJDSYVKH-UHFFFAOYSA-N |
| MDL Number | MFCD18398114 |
| Molecular Formula | C8H6F3IO |
| Molecular Weight | 302.0323 |
| SMILES | COc1cc(ccc1I)C(F)(F)F |
| Synonyms | 1261752-45-7,
1-iodo-2-methoxy-4-(trifluoromethyl)benzene,
SCHEMBL19731306,
2-Iodo-5-(trifluoromethyl)anisole,
ZINC238337139,
benzene, 1-iodo-2-methoxy-4-(trifluoromethyl)-,
|
| Complexity | 171 |
| 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 | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number