| CAS Number | 1159512-68-1 |
| Catalog Number | AG009M8D |
| Chemical Name | 1-BROMO-4-BROMOMETHYL-2-TRIFLUOROMETHYL-BENZENE |
| IUPAC Name | 1-bromo-4-(bromomethyl)-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H5Br2F3/c9-4-5-1-2-7(10)6(3-5)8(11,12)13/h1-3H,4H2 |
| InChI Key | UHHXITPNGSCOBA-UHFFFAOYSA-N |
| MDL Number | MFCD08059128 |
| Molecular Formula | C8H5Br2F3 |
| Molecular Weight | 317.9285 |
| SMILES | BrC1=C(C=C(CBr)C=C1)C(F)(F)F |
| Synonyms | 4-Bromo-3-(trifluoromethyl)benzyl bromide,
1159512-68-1,
1-Bromo-4-(bromomethyl)-2-(trifluoromethyl)benzene,
SCHEMBL1639279,
CTK5I9786,
UHHXITPNGSCOBA-UHFFFAOYSA-N,
MFCD08059128,
ZINC71790181,
AKOS017558991,
PS-9950,
RT-016902,
K-1117,
1-BROMO-4-BROMOMETHYL-2-TRIFLUOROMETHYL-BENZENE,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.869g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.931g/mol |
| Monoisotopic Mass | 315.871g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number