| CAS Number | 681035-94-9 |
| Catalog Number | AG005NFQ(AGN-PC-07AEVI) |
| Chemical Name | 2-Methyl-5-(trifluoromethyl)anisole |
| IUPAC Name | 2-methoxy-1-methyl-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H9F3O/c1-6-3-4-7(9(10,11)12)5-8(6)13-2/h3-5H,1-2H3 |
| InChI Key | WHKKNAFVYPYSSU-UHFFFAOYSA-N |
| MDL Number | MFCD13185708 |
| Molecular Formula | C9H9F3O |
| Molecular Weight | 190.1624 |
| SMILES | COC1C=C(C(F)(F)F)C=CC=1C |
| Synonyms | 2-Methyl-5-(trifluoromethyl)anisole,
681035-94-9,
2-Methoxy-1-methyl-4-(trifluoromethyl)benzene,
BENZENE, 2-METHOXY-1-METHYL-4-(TRIFLUOROMETHYL)-,
SCHEMBL2669936,
CTK5C7313,
DTXSID10666838,
5-(Trifluoromethyl)-2-methylanisole,
ZINC39090402,
FS-5964,
Benzene, 2-methoxy-1-methyl-4-(trifluoromethyl)- (9CI),
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.165g/mol |
| Monoisotopic Mass | 190.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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