| CAS Number | 41818-96-6 |
| Catalog Number | AG019CVW(AGN-PC-0WBS4V) |
| Chemical Name | 1,3-Dimethyl-2-(trifluoromethyl)benzene |
| IUPAC Name | 1,3-dimethyl-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H9F3/c1-6-4-3-5-7(2)8(6)9(10,11)12/h3-5H,1-2H3 |
| InChI Key | BGURHJHQZVSCHL-UHFFFAOYSA-N |
| MDL Number | MFCD14525527 |
| Molecular Formula | C9H9F3 |
| Molecular Weight | 174.1630 |
| SMILES | FC(C1=C(C)C=CC=C1C)(F)F |
| Synonyms | 2,6-Dimethylbenzotrifluoride,
41818-96-6,
1,3-dimethyl-2-(trifluoromethyl)benzene,
2-(Trifluoromethyl)-m-xylene,
SCHEMBL4090283,
DTXSID90602991,
2990AE,
ZINC59194951,
AKOS005257949,
FS-5744,
FT-0686356,
C9H9F3,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.166g/mol |
| Monoisotopic Mass | 174.066g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number