| CAS Number | 622387-06-8 |
| Catalog Number | AG01EWOD(AGN-PC-03HW7D) |
| Chemical Name | 1-Bromo-4-(4,4,4-trifluorobutoxy)benzene |
| IUPAC Name | 1-bromo-4-(4,4,4-trifluorobutoxy)benzene |
| InChI | InChI=1S/C10H10BrF3O/c11-8-2-4-9(5-3-8)15-7-1-6-10(12,13)14/h2-5H,1,6-7H2 |
| InChI Key | MTOCRHOPLAYFLZ-UHFFFAOYSA-N |
| MDL Number | MFCD25218933 |
| Molecular Formula | C10H10BrF3O |
| Molecular Weight | 283.085 |
| SMILES | C1(Br)C=CC(OCCCC(F)(F)F)=CC=1 |
| Synonyms | 1-bromo-4-(4,4,4-trifluorobutoxy)benzene,
622387-06-8,
SCHEMBL5717383,
MTOCRHOPLAYFLZ-UHFFFAOYSA-N,
ZINC96508997,
1-Bromo-4-(4,4,4-trifluorobutoxyl)benzene,
1-Bromo-4-(4,4,4-trifluoro-butoxy)-benzene,
Benzene, 1-bromo-4-(4,4,4-trifluorobutoxy)-,
A1-10620,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.088g/mol |
| Monoisotopic Mass | 281.987g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number