| CAS Number | 30129-20-5 |
| Catalog Number | AG01B77D |
| Chemical Name | 1-Bromo-4-(Trifluoromethyl)Cyclohexane |
| IUPAC Name | 1-bromo-4-(trifluoromethyl)cyclohexane |
| InChI | InChI=1S/C7H10BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h5-6H,1-4H2 |
| InChI Key | CTEBWBSBKSFIMN-UHFFFAOYSA-N |
| MDL Number | MFCD20410249 |
| Molecular Formula | C7H10BrF3 |
| Molecular Weight | 231.0535 |
| SMILES | FC(C1CCC(Br)CC1)(F)F |
| Synonyms | 1-bromo-4-(trifluoromethyl)cyclohexane,
30129-20-5,
SCHEMBL17892081,
ZINC82862633,
AKOS014081850,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.056g/mol |
| Monoisotopic Mass | 229.992g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number