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Specification
The molecular formula of Ethyl 4-chloro-3-fluorobenzoylformate is C10H8ClFO3.
The molecular weight of Ethyl 4-chloro-3-fluorobenzoylformate is 230.62 g/mol.
The IUPAC name of Ethyl 4-chloro-3-fluorobenzoylformate is ethyl 2-(4-chloro-3-fluorophenyl)-2-oxoacetate.
The InChI of Ethyl 4-chloro-3-fluorobenzoylformate is InChI=1S/C10H8ClFO3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3.
The InChIKey of Ethyl 4-chloro-3-fluorobenzoylformate is WOSOIZKCUZXMBV-UHFFFAOYSA-N.
The Canonical SMILES of Ethyl 4-chloro-3-fluorobenzoylformate is CCOC(=O)C(=O)C1=CC(=C(C=C1)Cl)F.
The CAS number of Ethyl 4-chloro-3-fluorobenzoylformate is 845790-56-9.
Ethyl 4-chloro-3-fluorobenzoylformate has 0 hydrogen bond donor counts.
Ethyl 4-chloro-3-fluorobenzoylformate has 4 hydrogen bond acceptor counts.
Yes, the compound is canonicalized.