| CAS Number | 1934665-18-5 |
| Catalog Number | AG01FH8C(AGN-PC-3H4AML) |
| Chemical Name | 1-(Bromomethyl)-2,4-difluoro-5-(trifluoromethyl)benzene |
| IUPAC Name | 1-(bromomethyl)-2,4-difluoro-5-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H4BrF5/c9-3-4-1-5(8(12,13)14)7(11)2-6(4)10/h1-2H,3H2 |
| InChI Key | LXQOUUTWBTWLAB-UHFFFAOYSA-N |
| MDL Number | MFCD28897198 |
| Molecular Formula | C8H4BrF5 |
| Molecular Weight | 275.0134 |
| SMILES | BrCc1cc(c(cc1F)F)C(F)(F)F |
| Synonyms | 2,4-Difluoro-5-(trifluoromethyl)benzyl bromide,
1934665-18-5,
MFCD28897198,
ZINC259431630,
FCH3764443,
PC53038,
PS-9921,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.016g/mol |
| Monoisotopic Mass | 273.942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number