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Specification
The molecular formula of Ethyl 5-chloro-2-methoxybenzoylformate is C11H11ClO4.
The IUPAC name of Ethyl 5-chloro-2-methoxybenzoylformate is ethyl 2-(5-chloro-2-methoxyphenyl)-2-oxoacetate.
The InChI code of Ethyl 5-chloro-2-methoxybenzoylformate is InChI=1S/C11H11ClO4/c1-3-16-11(14)10(13)8-6-7(12)4-5-9(8)15-2/h4-6H,3H2,1-2H3.
The InChIKey of Ethyl 5-chloro-2-methoxybenzoylformate is TYJGCFNKZHJLMB-UHFFFAOYSA-N.
The canonical SMILES of Ethyl 5-chloro-2-methoxybenzoylformate is CCOC(=O)C(=O)C1=C(C=CC(=C1)Cl)OC.
The molecular weight of Ethyl 5-chloro-2-methoxybenzoylformate is 242.65 g/mol.
The XLogP3-AA value of Ethyl 5-chloro-2-methoxybenzoylformate is 2.6.
Ethyl 5-chloro-2-methoxybenzoylformate has 0 hydrogen bond donor counts.
Ethyl 5-chloro-2-methoxybenzoylformate has 4 hydrogen bond acceptor counts.
Ethyl 5-chloro-2-methoxybenzoylformate has 5 rotatable bond counts.