| CAS Number | 433939-48-1 |
| Catalog Number | AG01DL8I(AGN-PC-03HHJ0) |
| Chemical Name | 1,3-Dibromo-5-(difluoromethoxy)benzene |
| IUPAC Name | 1,3-dibromo-5-(difluoromethoxy)benzene |
| InChI | InChI=1S/C7H4Br2F2O/c8-4-1-5(9)3-6(2-4)12-7(10)11/h1-3,7H |
| InChI Key | SZRPGGXNTIUCCQ-UHFFFAOYSA-N |
| MDL Number | MFCD09878212 |
| Molecular Formula | C7H4Br2F2O |
| Molecular Weight | 301.9109 |
| SMILES | c1(cc(cc(c1)Br)Br)OC(F)F |
| Synonyms | 3,5-Dibromo-(difluoromethoxy)benzene,
433939-48-1,
1,3-Dibromo-5-(difluoromethoxy)benzene,
SCHEMBL3163240,
SZRPGGXNTIUCCQ-UHFFFAOYSA-N,
MFCD09878212,
ZINC15444648,
1,3-Dibromo-5-difluoromethoxybenzene,
AS-48071,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.858g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.913g/mol |
| Monoisotopic Mass | 299.86g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number