| CAS Number | 868373-87-9 |
| Catalog Number | AG01C1JL |
| Chemical Name | Methyl 3-(2-chloro-6-fluorophenyl)-3-oxopropanoate |
| IUPAC Name | methyl 3-(2-chloro-6-fluorophenyl)-3-oxopropanoate |
| InChI | InChI=1S/C10H8ClFO3/c1-15-9(14)5-8(13)10-6(11)3-2-4-7(10)12/h2-4H,5H2,1H3 |
| InChI Key | GXGZQUYKBHOIML-UHFFFAOYSA-N |
| MDL Number | MFCD27930682 |
| Molecular Formula | C10H8ClFO3 |
| Molecular Weight | 230.6201 |
| SMILES | COC(CC(C1=C(Cl)C=CC=C1F)=O)=O |
| Synonyms | 868373-87-9,
methyl 3-(2-chloro-6-fluorophenyl)-3-oxopropanoate,
SCHEMBL2070130,
GXGZQUYKBHOIML-UHFFFAOYSA-N,
Benzenepropanoic acid, 2-chloro-6-fluoro-beta-oxo-, methyl ester,
ZINC83328944,
A1-09731,
Methyl 3-(2-chloro-6-fluorophenyl)-3-oxopropionate,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.619g/mol |
| Monoisotopic Mass | 230.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number