| CAS Number | 18414-17-0 |
| Catalog Number | AG007SHZ(AGN-PC-0O59JF) |
| Chemical Name | 1,4-dimethyl (2Z)-2-fluorobut-2-enedioate |
| IUPAC Name | dimethyl 2-fluorobut-2-enedioate |
| InChI | InChI=1S/C6H7FO4/c1-10-5(8)3-4(7)6(9)11-2/h3H,1-2H3 |
| InChI Key | ZZQHBYBCVBOUSV-UHFFFAOYSA-N |
| MDL Number | MFCD31559950 |
| Molecular Formula | C6H7FO4 |
| Molecular Weight | 162.1158 |
| SMILES | COC(/C=C(/C(OC)=O)F)=O |
| Synonyms | 2-Butenedioic acid, 2-fluoro-, dimethyl ester, (Z)-,
18414-17-0,
AC1O41AX,
SCHEMBL15547367,
CTK0E2524,
dimethyl 2-fluorobut-2-enedioate,
DTXSID00422501,
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| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.116g/mol |
| Monoisotopic Mass | 162.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number