| CAS Number | 1099597-31-5 |
| Catalog Number | AG019DY1(AGN-PC-0WBRGK) |
| Chemical Name | 1-Bromo-4-(3,3,3-trifluoropropyl)benzene |
| IUPAC Name | 1-bromo-4-(3,3,3-trifluoropropyl)benzene |
| InChI | InChI=1S/C9H8BrF3/c10-8-3-1-7(2-4-8)5-6-9(11,12)13/h1-4H,5-6H2 |
| InChI Key | YRFFLHLXMDGVFT-UHFFFAOYSA-N |
| MDL Number | MFCD11226575 |
| Molecular Formula | C9H8BrF3 |
| Molecular Weight | 253.0590 |
| SMILES | C1C(Br)=CC=C(CCC(F)(F)F)C=1 |
| Synonyms | 1-Bromo-4-(3,3,3-trifluoropropyl)benzene,
1099597-31-5,
SCHEMBL11103061,
CTK7B7121,
BBL101006,
STL554800,
ZINC66329422,
AKOS005255754,
TR-055228,
Y-9741,
|
| Complexity | 147 |
| 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 | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number