| CAS Number | 845790-53-6 |
| Catalog Number | AG0052AM(AGN-PC-0WCBO1) |
| Chemical Name | Ethyl 3-chloro-4-fluorobenzoylformate |
| IUPAC Name | ethyl 2-(3-chloro-4-fluorophenyl)-2-oxoacetate |
| InChI | InChI=1S/C10H8ClFO3/c1-2-15-10(14)9(13)6-3-4-8(12)7(11)5-6/h3-5H,2H2,1H3 |
| InChI Key | OVOGFBWMHITCTB-UHFFFAOYSA-N |
| MDL Number | MFCD06201707 |
| Molecular Formula | C10H8ClFO3 |
| Molecular Weight | 230.6201 |
| SMILES | ClC=1C=C(C(=O)C(=O)OCC)C=CC1F |
| Synonyms | Ethyl 3-chloro-4-fluorobenzoylformate,
845790-53-6,
ethyl 2-(3-chloro-4-fluorophenyl)-2-oxoacetate,
AC1MBZ0B,
CTK5F2693,
DTXSID90374500,
ZINC4255733,
0477AF,
AKOS016017031,
RT-022300,
ethyl 3-chloro-4-fluorobenzoylformate, AldrichCPR,
(3-chloro-4-fluorophenyl)oxoacetic acid ethyl ester,
C10H8ClFO3,
ZINC04255733,
CID2758817,
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| 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 | 2.8 |
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Certificate of Analysis
Lot Number