| CAS Number | 1672663-79-4 |
| Catalog Number | AG01FA5J(AGN-PC-3H49EG) |
| Chemical Name | 2-Bromo-3-(difluoromethyl)-1,4-difluorobenzene |
| IUPAC Name | 2-bromo-3-(difluoromethyl)-1,4-difluorobenzene |
| InChI | InChI=1S/C7H3BrF4/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2,7H |
| InChI Key | KPKMEVLHDAVNLN-UHFFFAOYSA-N |
| MDL Number | MFCD28166242 |
| Molecular Formula | C7H3BrF4 |
| Molecular Weight | 242.9963 |
| SMILES | C1=CC(=C(C(=C1F)C(F)F)Br)F |
| Synonyms | 1672663-79-4,
2-Bromo-3,6-difluoro-1-(difluoromethyl)benzene,
2-Bromo-3-(difluoromethyl)-1,4-difluorobenzene,
SCHEMBL16555994,
ZINC263620168,
|
| 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