| CAS Number | 1447671-68-2 |
| Catalog Number | AG00LFR6(AGN-PC-3H4565) |
| Chemical Name | 1-Bromo-3-(difluoromethyl)-2,4-difluorobenzene |
| IUPAC Name | 1-bromo-3-(difluoromethyl)-2,4-difluorobenzene |
| InChI | InChI=1S/C7H3BrF4/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2,7H |
| InChI Key | HFRAXUVXGSVZAR-UHFFFAOYSA-N |
| MDL Number | MFCD25976517 |
| Molecular Formula | C7H3BrF4 |
| Molecular Weight | 242.9963 |
| SMILES | c1(ccc(c(c1F)C(F)F)F)Br |
| Synonyms | 1447671-68-2,
ZINC95147713,
1-bromo-3-(difluoromethyl)-2,4-difluorobenzene,
3-Bromo-2,6-difluoro-(difluoromethyl)-benzene stabilized over potassium carbonate,
3-Bromo-2,6-difluoro-(difluoromethyl)-benzene,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.999g/mol |
| Monoisotopic Mass | 241.935g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number