| CAS Number | 139148-44-0 |
| Catalog Number | AG01CAED(AGN-PC-02JG08) |
| Chemical Name | 1-(1-Bromopropyl)-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-(1-bromopropyl)-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C10H10BrF3/c1-2-9(11)7-3-5-8(6-4-7)10(12,13)14/h3-6,9H,2H2,1H3 |
| InChI Key | ZIYZKUKDQBZDSA-UHFFFAOYSA-N |
| MDL Number | MFCD23098696 |
| Molecular Formula | C10H10BrF3 |
| Molecular Weight | 267.0856 |
| SMILES | BrC(CC)C1=CC=C(C=C1)C(F)(F)F |
| Synonyms | 1-(1-bromopropyl)-4-(trifluoromethyl)benzene,
139148-44-0,
SCHEMBL9337585,
Benzene, 1-(1-bromopropyl)-4-(trifluoromethyl)-,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.089g/mol |
| Monoisotopic Mass | 265.992g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number