| CAS Number | 84796-70-3 |
| Catalog Number | AG019CUN(AGN-PC-0N2NP4) |
| Chemical Name | 2,5-Dimethylbenzotrifluoride |
| IUPAC Name | 1,4-dimethyl-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H9F3/c1-6-3-4-7(2)8(5-6)9(10,11)12/h3-5H,1-2H3 |
| InChI Key | RIKQFBGCNQAHBO-UHFFFAOYSA-N |
| MDL Number | MFCD14525506 |
| Molecular Formula | C9H9F3 |
| Molecular Weight | 174.163 |
| SMILES | C1(C)=CC=C(C)C=C1C(F)(F)F |
| Synonyms | 1,4-dimethyl-2-(trifluoromethyl)benzene,
2,5-Dimethylbenzotrifluoride,
84796-70-3,
2-Fluoromethyl-p-xylene,
SCHEMBL84053,
2-(Trifluoromethyl)-p-xylene,
DTXSID90438151,
0523AF,
MFCD14525506,
ZINC67800062,
1,4-Dimethyl-2-trifluoromethylbenzene,
AKOS005258044,
136822-78-1,
C9H9F3,
CID10329791,
|
| Complexity | 150 |
| 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
Certificate of Analysis
Lot Number