| CAS Number | 1214340-18-7 |
| Catalog Number | AG009II0 |
| Chemical Name | 3-Chloro-4-methoxybenzotrifluoride |
| IUPAC Name | 2-chloro-1-methoxy-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H6ClF3O/c1-13-7-3-2-5(4-6(7)9)8(10,11)12/h2-4H,1H3 |
| InChI Key | VVRXOIBFPBBYRU-UHFFFAOYSA-N |
| MDL Number | MFCD13185462 |
| Molecular Formula | C8H6ClF3O |
| Molecular Weight | 210.5808 |
| SMILES | C1C=C(OC)C(Cl)=CC=1C(F)(F)F |
| Synonyms | 3-Chloro-4-methoxybenzotrifluoride,
1214340-18-7,
2-Chloro-4-(trifluoromethyl)anisole,
2-Chloro-1-methoxy-4-(trifluoromethyl)benzene,
MFCD13185462,
SCHEMBL1688243,
DTXSID00711169,
ZX-AP009709,
ZINC71793112,
FCH1380652,
PC51100,
2-Methoxy-5-(trifluoromethyl)chlorobenzene,
2-Chloro-4-(trifluoromethyl)anisole, 97%,
2-Chloro-4-(trifluoromethyl)phenyl methyl ether,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.58g/mol |
| Monoisotopic Mass | 210.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number