| CAS Number | 1445995-80-1 |
| Catalog Number | AG00HX69(AGN-PC-0WR0P1) |
| Chemical Name | 1-(Bromomethyl)-2,4-difluoro-3-(trifluoromethyl)benzene |
| IUPAC Name | 1-(bromomethyl)-2,4-difluoro-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H4BrF5/c9-3-4-1-2-5(10)6(7(4)11)8(12,13)14/h1-2H,3H2 |
| InChI Key | WXGJNEQJYXWCQZ-UHFFFAOYSA-N |
| MDL Number | MFCD25541882 |
| Molecular Formula | C8H4BrF5 |
| Molecular Weight | 275.0134 |
| SMILES | FC1=C(C(F)=C(CBr)C=C1)C(F)(F)F |
| Synonyms | 2,4-Difluoro-3-(trifluoromethyl)benzyl bromide,
1445995-80-1,
ZX-AP002728,
MFCD25541882,
ZINC95836570,
FCH2409597,
PC49068,
PS-9920,
1-(BROMOMETHYL)-2,4-DIFLUORO-3-(TRIFLUOROMETHYL)BENZENE,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number