| CAS Number | 863111-55-1 |
| Catalog Number | AG01EXW6(AGN-PC-03ZTNR) |
| Chemical Name | 3-Iodo-2-methylbenzotrifluoride |
| IUPAC Name | 1-iodo-2-methyl-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6F3I/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,1H3 |
| InChI Key | RGOUOPUELKSWEC-UHFFFAOYSA-N |
| MDL Number | MFCD09800791 |
| Molecular Formula | C8H6F3I |
| Molecular Weight | 286.0329 |
| SMILES | IC1=C(C(=CC=C1)C(F)(F)F)C |
| Synonyms | 3-Iodo-2-methylbenzotrifluoride,
863111-55-1,
1-Iodo-2-methyl-3-(trifluoromethyl)benzene,
SCHEMBL2276181,
RGOUOPUELKSWEC-UHFFFAOYSA-N,
ZINC59792185,
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| 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 |
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Certificate of Analysis
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