| CAS Number | 68120-42-3 |
| Catalog Number | AG01AAGK(AGN-PC-00K7I4) |
| Chemical Name | 1-(1-Bromoethyl)-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-(1-bromoethyl)-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H8BrF3/c1-6(10)7-2-4-8(5-3-7)9(11,12)13/h2-6H,1H3 |
| InChI Key | VWPMBVBOSDEYQU-UHFFFAOYSA-N |
| MDL Number | MFCD00045103 |
| Molecular Formula | C9H8BrF3 |
| Molecular Weight | 253.0590 |
| SMILES | BrC(C)C1=CC=C(C=C1)C(F)(F)F |
| Synonyms | 1-(1-bromoethyl)-4-(trifluoromethyl)benzene,
68120-42-3,
AC1Q1LEJ,
SCHEMBL678227,
VWPMBVBOSDEYQU-UHFFFAOYSA-N,
MFCD00045103,
NE23659,
BS-13834,
1-(1-bromoethyl)-4-trifluoromethylbenzene,
EN300-68554,
ALPHA-METHYL-P-TRIFLUOROMETHYLBENZYL BROMIDE,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.062g/mol |
| Monoisotopic Mass | 251.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number