| CAS Number | 70743-66-7 |
| Catalog Number | AG019W5G(AGN-PC-0NKHNB) |
| Chemical Name | 1-(4-bromobutoxy)-3-(trifluoromethyl)benzene |
| IUPAC Name | 1-(4-bromobutoxy)-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C11H12BrF3O/c12-6-1-2-7-16-10-5-3-4-9(8-10)11(13,14)15/h3-5,8H,1-2,6-7H2 |
| InChI Key | PMAFRLNIEQFVSY-UHFFFAOYSA-N |
| MDL Number | MFCD11213831 |
| Molecular Formula | C11H12BrF3O |
| Molecular Weight | 297.1116 |
| SMILES | FC(C1=CC(OCCCCBr)=CC=C1)(F)F |
| Synonyms | 1-(4-bromobutoxy)-3-(trifluoromethyl)benzene,
70743-66-7,
AC1Q4J18,
SCHEMBL7199868,
CTK5J0232,
PMAFRLNIEQFVSY-UHFFFAOYSA-N,
ZINC36379661,
AKOS009350575,
NE15140,
4-(3-trifluoromethylphenoxy)butyl bromide,
EN300-50586,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.115g/mol |
| Monoisotopic Mass | 296.002g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number