| CAS Number | 1081849-77-5 |
| Catalog Number | AG00MITA(AGN-PC-3H4575) |
| Chemical Name | 1,5-Dichloro-2-methoxy-4-(trifluoromethyl)benzene |
| IUPAC Name | 1,5-dichloro-2-methoxy-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H5Cl2F3O/c1-14-7-2-4(8(11,12)13)5(9)3-6(7)10/h2-3H,1H3 |
| InChI Key | DNBBCDSATAHBPV-UHFFFAOYSA-N |
| MDL Number | MFCD28291786 |
| Molecular Formula | C8H5Cl2F3O |
| Molecular Weight | 245.0259 |
| SMILES | C1(Cl)C=C(Cl)C(C(F)(F)F)=CC=1OC |
| Synonyms | 1,5-Dichloro-2-methoxy-4-(trifluoromethyl)benzene,
1081849-77-5,
ZINC263620158,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.022g/mol |
| Monoisotopic Mass | 243.967g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number