| CAS Number | 1461705-81-6 |
| Catalog Number | AG01A637 |
| Chemical Name | 4-Bromo-2-[(4-methoxyphenyl)methoxy]-1-(trifluoromethyl)benzene |
| IUPAC Name | 4-bromo-2-[(4-methoxyphenyl)methoxy]-1-(trifluoromethyl)benzene |
| InChI | InChI=1S/C15H12BrF3O2/c1-20-12-5-2-10(3-6-12)9-21-14-8-11(16)4-7-13(14)15(17,18)19/h2-8H,9H2,1H3 |
| InChI Key | VHMLZTGNXLECJP-UHFFFAOYSA-N |
| MDL Number | MFCD25371698 |
| Molecular Formula | C15H12BrF3O2 |
| Molecular Weight | 361.1538 |
| SMILES | COC1=CC=C(COC2=C(C(F)(F)F)C=CC(Br)=C2)C=C1 |
| Synonyms | 4-bromo-2-[(4-methoxyphenyl)methoxy]-1-(trifluoromethyl)benzene,
1461705-81-6,
ZINC95348064,
NE58333,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.158g/mol |
| Monoisotopic Mass | 359.997g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number