| CAS Number | 1261673-36-2 |
| Catalog Number | AG00MEQV(AGN-PC-3H4571) |
| Chemical Name | 2,3-Dimethoxybenzotrifluoride |
| IUPAC Name | 1,2-dimethoxy-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H9F3O2/c1-13-7-5-3-4-6(8(7)14-2)9(10,11)12/h3-5H,1-2H3 |
| InChI Key | JUIJOGIBDMYFSG-UHFFFAOYSA-N |
| MDL Number | MFCD18395736 |
| Molecular Formula | C9H9F3O2 |
| Molecular Weight | 206.1618 |
| SMILES | C1(OC)C(C(F)(F)F)=CC=CC=1OC |
| Synonyms | 2,3-Dimethoxybenzotrifluoride,
1261673-36-2,
1,2-dimethoxy-3-(trifluoromethyl)benzene,
SCHEMBL10451316,
DTXSID00576992,
ZINC85650645,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.164g/mol |
| Monoisotopic Mass | 206.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number