| CAS Number | 261763-09-1 |
| Catalog Number | AG00C1RE(AGN-PC-0KKVO6) |
| Chemical Name | 3-Chloro-2-fluoro-5-(trifluoromethyl)benzyl bromide |
| IUPAC Name | 1-(bromomethyl)-3-chloro-2-fluoro-5-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H4BrClF4/c9-3-4-1-5(8(12,13)14)2-6(10)7(4)11/h1-2H,3H2 |
| InChI Key | SPNVJHWULHTZHG-UHFFFAOYSA-N |
| MDL Number | MFCD01631513 |
| Molecular Formula | C8H4BrClF4 |
| Molecular Weight | 291.4680 |
| SMILES | C1=C(C(F)(F)F)C=C(Cl)C(=C1CBr)F |
| Synonyms | 3-Chloro-2-fluoro-5-(trifluoromethyl)benzyl bromide,
261763-09-1,
3-chloro-2-fluoro-5-(trifluoromethyl)-benzyl bromide,
1-(bromomethyl)-3-chloro-2-fluoro-5-(trifluoromethyl)benzene,
AC1MCNFA,
SCHEMBL2925876,
CTK5I9747,
DTXSID00378695,
SPNVJHWULHTZHG-UHFFFAOYSA-N,
JRD-0835,
ZINC2382182,
ZX-AP000582,
MFCD01631513,
PC0158,
AKOS015848678,
FCH1320842,
PS-9923,
TR-039783,
3-chloro-2-fluoro-5-trifluoromethylbenzyl bromide,
3-chloro-2-fluoro-5-(trifluoromethyl)benzylbromide,
CID2773764,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.468g/mol |
| Monoisotopic Mass | 289.912g/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
Certificate of Analysis
Lot Number