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Specification
The molecular formula of 3-formylphenyl 2-chlorobenzoate is C14H9ClO3.
The molecular weight of 3-formylphenyl 2-chlorobenzoate is 260.67 g/mol.
The IUPAC name of 3-formylphenyl 2-chlorobenzoate is (3-formylphenyl) 2-chlorobenzoate.
The InChI code of 3-formylphenyl 2-chlorobenzoate is InChI=1S/C14H9ClO3/c15-13-7-2-1-6-12(13)14(17)18-11-5-3-4-10(8-11)9-16/h1-9H.
The InChIKey of 3-formylphenyl 2-chlorobenzoate is ZRBMRVWMDNRGBH-UHFFFAOYSA-N.
The canonical SMILES of 3-formylphenyl 2-chlorobenzoate is C1=CC=C(C(=C1)C(=O)OC2=CC=CC(=C2)C=O)Cl.
The XLogP3 value of 3-formylphenyl 2-chlorobenzoate is 3.8.
3-formylphenyl 2-chlorobenzoate has 0 hydrogen bond donor count.
3-formylphenyl 2-chlorobenzoate has 3 hydrogen bond acceptor count.
3-formylphenyl 2-chlorobenzoate has 4 rotatable bond count.