| CAS Number | 1777895-41-6 |
| Catalog Number | AG01ELA5(AGN-PC-0WCMHJ) |
| Chemical Name | 4-Bromo-2-(2,2-diethoxyethoxy)-1-fluorobenzene |
| IUPAC Name | 4-bromo-2-(2,2-diethoxyethoxy)-1-fluorobenzene |
| InChI | InChI=1S/C12H16BrFO3/c1-3-15-12(16-4-2)8-17-11-7-9(13)5-6-10(11)14/h5-7,12H,3-4,8H2,1-2H3 |
| InChI Key | HOQQXLIOKCRGAP-UHFFFAOYSA-N |
| MDL Number | MFCD26939171 |
| Molecular Formula | C12H16BrFO3 |
| Molecular Weight | 307.156 |
| SMILES | CCOC(OCC)COC1=C(F)C=CC(Br)=C1 |
| Synonyms | 4-Bromo-2-(2,2-diethoxyethoxy)-1-fluorobenzene,
1777895-41-6,
SCHEMBL16844531,
MFCD26939171,
ZINC98210672,
AKOS030234211,
AS-8632,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.159g/mol |
| Monoisotopic Mass | 306.027g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number