| CAS Number | 672948-65-1 |
| Catalog Number | AG006IN6(AGN-PC-0MV0I1) |
| Chemical Name | Benzene, 4-bromo-2-methoxy-1-(trifluoromethoxy)- |
| IUPAC Name | 4-bromo-2-methoxy-1-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C8H6BrF3O2/c1-13-7-4-5(9)2-3-6(7)14-8(10,11)12/h2-4H,1H3 |
| InChI Key | LDGCUJSMICRHPM-UHFFFAOYSA-N |
| MDL Number | MFCD21333068 |
| Molecular Formula | C8H6BrF3O2 |
| Molecular Weight | 271.0312 |
| SMILES | c1c(ccc(c1OC)OC(F)(F)F)Br |
| Synonyms | 672948-65-1,
5-Bromo-2-(trifluoromethoxy)anisole,
4-bromo-2-methoxy-1-(trifluoromethoxy)benzene,
Benzene, 4-bromo-2-methoxy-1-(trifluoromethoxy)-,
ACMC-209nye,
SCHEMBL15968924,
CTK1H8215,
DTXSID10432237,
ANW-35316,
KM1084,
MFCD21333068,
ZINC34003253,
TC-124061,
CS-0088061,
V7220,
C8H6BrF3O2,
CID9878576,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.033g/mol |
| Monoisotopic Mass | 269.95g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number