| CAS Number | 1369852-22-1 |
| Catalog Number | AG00L9YI(AGN-PC-3H4562) |
| Chemical Name | 1-Iodo-4-methyl-2-(trifluoromethyl)benzene |
| IUPAC Name | 1-iodo-4-methyl-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6F3I/c1-5-2-3-7(12)6(4-5)8(9,10)11/h2-4H,1H3 |
| InChI Key | DIDQHLMNWYQNTK-UHFFFAOYSA-N |
| MDL Number | MFCD22273738 |
| Molecular Formula | C8H6F3I |
| Molecular Weight | 286.0329 |
| SMILES | C1(C(F)(F)F)C(=CC=C(C)C=1)I |
| Synonyms | 1-iodo-4-methyl-2-(trifluoromethyl)benzene,
1369852-22-1,
2-Iodo-5-methylbenzotrifluoride,
SCHEMBL16628089,
DTXSID50735214,
DIDQHLMNWYQNTK-UHFFFAOYSA-N,
ZINC85667170,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.036g/mol |
| Monoisotopic Mass | 285.947g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number