| CAS Number | 42175-48-4 |
| Catalog Number | AG01EVWU(AGN-PC-3H4826) |
| Chemical Name | 1,2,3-Tris(trifluoromethyl)benzene |
| IUPAC Name | 1,2,3-tris(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H3F9/c10-7(11,12)4-2-1-3-5(8(13,14)15)6(4)9(16,17)18/h1-3H |
| InChI Key | RXJLQXXWAYTRIW-UHFFFAOYSA-N |
| MDL Number | MFCD18379797 |
| Molecular Formula | C9H3F9 |
| Molecular Weight | 282.1057 |
| SMILES | C1=CC(=C(C(F)(F)F)C(C(F)(F)F)=C1)C(F)(F)F |
| Synonyms | 1,2,3-tris(trifluoromethyl)benzene,
42175-48-4,
Benzene, 1,2,3-tris(trifluoromethyl)-,
AC1L49KB,
SCHEMBL2000756,
CTK1D6275,
DTXSID80194996,
1,2,3-Tri(trifluoromethyl)benzene,
MFCD18379797,
AKOS030211027,
ZINC100542145,
FT-0751893,
CID181728,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.109g/mol |
| Monoisotopic Mass | 282.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
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