| CAS Number | 1099597-86-0 |
| Catalog Number | AG01DZLE(AGN-PC-0WBZKB) |
| Chemical Name | 2-Bromo-1,5-Difluoro-3-(Trifluoromethyl)Benzene |
| IUPAC Name | 2-bromo-1,5-difluoro-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2BrF5/c8-6-4(7(11,12)13)1-3(9)2-5(6)10/h1-2H |
| InChI Key | IJQIBUQQMOIJPX-UHFFFAOYSA-N |
| MDL Number | MFCD11100523 |
| Molecular Formula | C7H2BrF5 |
| Molecular Weight | 260.9868 |
| SMILES | c1c(cc(c(c1C(F)(F)F)Br)F)F |
| Synonyms | 2-bromo-3,5-difluorobenzotrifluoride,
2-bromo-1,5-difluoro-3-(trifluoromethyl)benzene,
1099597-86-0,
CTK8E9196,
MFCD11100523,
ZINC66329338,
AKOS005255445,
TR-055110,
Z-0151,
2-Bromo-3,5-difluorobenzotrifluoride, AldrichCPR,
|
| 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