| CAS Number | 951624-81-0 |
| Catalog Number | AG01FO9U(AGN-PC-0WBWHI) |
| Chemical Name | Diethyl 4-fluoroheptanedioate |
| IUPAC Name | diethyl 4-fluoroheptanedioate |
| InChI | InChI=1S/C11H19FO4/c1-3-15-10(13)7-5-9(12)6-8-11(14)16-4-2/h9H,3-8H2,1-2H3 |
| InChI Key | PWWKGLGZUBWLQC-UHFFFAOYSA-N |
| MDL Number | MFCD08704574 |
| Molecular Formula | C11H19FO4 |
| Molecular Weight | 234.2646 |
| SMILES | CCOC(=O)CCC(CCC(=O)OCC)F |
| Synonyms | DIETHYL 4-FLUOROHEPTANEDIOATE,
951624-81-0,
1,7-diethyl 4-fluoroheptanedioate,
Diethyl-4-fluoroheptanedioate,
CTK6F8583,
BBL100704,
MFCD08704574,
STL554498,
ZINC19735876,
AKOS005254800,
TR-047827,
Z-0173,
Diethyl 4-fluoropimelate,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.267g/mol |
| Monoisotopic Mass | 234.127g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number