| CAS Number | 1221272-77-0 |
| Catalog Number | AG01DOVE(AGN-PC-0WC90G) |
| Chemical Name | 5-Bromo-2-(difluoromethyl)-1,3-difluorobenzene |
| IUPAC Name | 5-bromo-2-(difluoromethyl)-1,3-difluorobenzene |
| InChI | InChI=1S/C7H3BrF4/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,7H |
| InChI Key | KAXWWASZWQHCBC-UHFFFAOYSA-N |
| MDL Number | MFCD16140200 |
| Molecular Formula | C7H3BrF4 |
| Molecular Weight | 242.9963 |
| SMILES | BrC=1C=C(C(=C(C1)F)C(F)F)F |
| Synonyms | 5-bromo-2-(difluoromethyl)-1,3-difluorobenzene,
1221272-77-0,
SCHEMBL18099486,
DTXSID30716743,
2427AD,
ZINC77012028,
AKOS005258245,
5-Bromo-2-(difluoromethyl)-1,3-difluorobenzene stabilized over potassium carbonate,
C7H3BrF4,
|
| Complexity | 140 |
| 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