| CAS Number | 54978-36-8 |
| Catalog Number | AG00DL49(AGN-PC-035HGB) |
| Chemical Name | 1-Iodo-2-methyl-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-iodo-2-methyl-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6F3I/c1-5-4-6(8(9,10)11)2-3-7(5)12/h2-4H,1H3 |
| InChI Key | IRCKGZNGYDUSAN-UHFFFAOYSA-N |
| MDL Number | MFCD22570417 |
| Molecular Formula | C8H6F3I |
| Molecular Weight | 286.0329 |
| SMILES | CC1=C(C=CC(=C1)C(F)(F)F)I |
| Synonyms | 1-iodo-2-methyl-4-(trifluoromethyl)benzene,
54978-36-8,
4-Iodo-3-methylbenzotrifluoride,
SCHEMBL1529230,
DTXSID60610588,
IRCKGZNGYDUSAN-UHFFFAOYSA-N,
ZINC91675731,
AKOS033575483,
2-methyl-4-trifluoromethylphenyl iodide,
1-Iodo-2-methyl-4-trifluoromethylbenzene,
FT-0753195,
Z1741978801,
|
| 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