| CAS Number | 732251-65-9 |
| Catalog Number | AG00FD0U(AGN-PC-0WCBNQ) |
| Chemical Name | ethyl 2-(3-fluoro-4-methylphenyl)-2-oxoacetate |
| IUPAC Name | ethyl 2-(3-fluoro-4-methylphenyl)-2-oxoacetate |
| InChI | InChI=1S/C11H11FO3/c1-3-15-11(14)10(13)8-5-4-7(2)9(12)6-8/h4-6H,3H2,1-2H3 |
| InChI Key | VUTUZFBEEDJHDS-UHFFFAOYSA-N |
| MDL Number | MFCD01319622 |
| Molecular Formula | C11H11FO3 |
| Molecular Weight | 210.2016 |
| SMILES | FC=1C=C(C(=O)C(=O)OCC)C=CC1C |
| Synonyms | Ethyl 3-fluoro-4-methylbenzoylformate,
732251-65-9,
ethyl 2-(3-fluoro-4-methylphenyl)-2-oxoacetate,
AC1MBZ2D,
CTK5D7610,
DTXSID90374520,
ZINC2245446,
8919AE,
AKOS016017104,
FS-4374,
BBV-45115030,
RT-022301,
ethyl 3-fluoro-4-methylbenzoylformate, AldrichCPR,
(3-fluoro-4-methylphenyl)oxoacetic acid ethyl ester,
C11H11FO3,
ZINC02245446,
CID2758846,
ETHYL3-FLUORO-4-METHYLBENZOYLFORMATE,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.204g/mol |
| Monoisotopic Mass | 210.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number