| CAS Number | 1313712-61-6 |
| Catalog Number | AG00HSFX(AGN-PC-0WD2Z0) |
| Chemical Name | 1-(2,2-Diethoxy-ethoxy)-2-fluoro-benzene |
| IUPAC Name | 1-(2,2-diethoxyethoxy)-2-fluorobenzene |
| InChI | InChI=1S/C12H17FO3/c1-3-14-12(15-4-2)9-16-11-8-6-5-7-10(11)13/h5-8,12H,3-4,9H2,1-2H3 |
| InChI Key | QUAGZJIIKHPNPN-UHFFFAOYSA-N |
| MDL Number | MFCD18848551 |
| Molecular Formula | C12H17FO3 |
| Molecular Weight | 228.2600 |
| SMILES | CCOC(OCC)COC1=C(F)C=CC=C1 |
| Synonyms | 1-(2,2-Diethoxyethoxy)-2-fluorobenzene,
1313712-61-6,
1-(2,2-Diethoxy-ethoxy)-2-fluoro-benzene,
1-(2,2-Diethoxy-ethoxy)-2-fluorobenzene,
SCHEMBL249260,
CTK6F9905,
DTXSID40724374,
QUAGZJIIKHPNPN-UHFFFAOYSA-N,
ZINC71863806,
AKOS012940300,
RP27749,
AJ-118781,
Z-8387,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.263g/mol |
| Monoisotopic Mass | 228.116g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number