| CAS Number | 958454-25-6 |
| Catalog Number | AG005X07(AGN-PC-07B79Y) |
| Chemical Name | 1-Bromo-3-(2,2-difluoroethoxy)benzene |
| IUPAC Name | 1-bromo-3-(2,2-difluoroethoxy)benzene |
| InChI | InChI=1S/C8H7BrF2O/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4,8H,5H2 |
| InChI Key | WBWQAWMAKJZSLB-UHFFFAOYSA-N |
| MDL Number | MFCD11036117 |
| Molecular Formula | C8H7BrF2O |
| Molecular Weight | 237.0414 |
| SMILES | O(CC(F)F)c1cc(Br)ccc1 |
| Synonyms | 958454-25-6,
1-BROMO-3-(2,2-DIFLUORO-ETHOXY)-BENZENE,
1-Bromo-3-(2,2-difluoroethoxy)benzene,
3-(2,2-Difluoroethoxy)bromobenzene,
SCHEMBL16031895,
CTK5H8242,
DTXSID20669714,
MFCD11036117,
ZINC37756006,
AKOS010145247,
MCULE-7697086957,
NE52865,
PS-11648,
EN300-91175,
Z1269702317,
1-BROMO-3- -BENZENE,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.044g/mol |
| Monoisotopic Mass | 235.965g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number