| CAS Number | 858121-96-7 |
| Catalog Number | AG003D2L(AGN-PC-02JQBM) |
| Chemical Name | 1-(Bromomethyl)-4-(trifluoromethyl)cyclohexane |
| IUPAC Name | 1-(bromomethyl)-4-(trifluoromethyl)cyclohexane |
| InChI | InChI=1S/C8H12BrF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h6-7H,1-5H2 |
| InChI Key | OLFWEZJQUZTRPE-UHFFFAOYSA-N |
| MDL Number | MFCD21776156 |
| Molecular Formula | C8H12BrF3 |
| Molecular Weight | 245.0801 |
| SMILES | C(F)(F)(F)C1CCC(CC1)CBr |
| Synonyms | 1-(bromomethyl)-4-(trifluoromethyl)cyclohexane,
858121-96-7,
trans-1-(bromomethyl)-4-(trifluoromethyl)cyclohexane,
SCHEMBL2488968,
SCHEMBL9153936,
OLFWEZJQUZTRPE-LJGSYFOKSA-N,
ZINC82184559,
AKOS015817339,
ZINC616220956,
133261-36-6,
DA-45956,
SY026780,
FT-0732783,
FT-0765530,
MFCD21776156 (95%),
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.083g/mol |
| Monoisotopic Mass | 244.007g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number