| CAS Number | 1242339-23-6 |
| Catalog Number | AG009F84(AGN-PC-0WAJLA) |
| Chemical Name | 3,4-Difluoro-2-trifluoromethyl-bromobenzene |
| IUPAC Name | 1-bromo-3,4-difluoro-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2BrF5/c8-3-1-2-4(9)6(10)5(3)7(11,12)13/h1-2H |
| InChI Key | DKRBFARXIWUPMN-UHFFFAOYSA-N |
| MDL Number | MFCD16817691 |
| Molecular Formula | C7H2BrF5 |
| Molecular Weight | 260.9868 |
| SMILES | BrC1=C(C(F)(F)F)C(F)=C(F)C=C1 |
| Synonyms | 6-Bromo-2,3-difluorobenzotrifluoride,
1242339-23-6,
1-bromo-3,4-difluoro-2-(trifluoromethyl)benzene,
SCHEMBL17222991,
DKRBFARXIWUPMN-UHFFFAOYSA-N,
ZINC67794487,
AKOS025211654,
FCH1348585,
FS-4644,
PC52034,
3,4-Difluoro-2-trifluoromethyl-bromobenzene,
1-?Bromo-?3,?4-?difluoro-?2-?(trifluoromethyl)?benzene,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.989g/mol |
| Monoisotopic Mass | 259.926g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number