CAS
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Specification
The molecular formula is C8H6ClFO2.
It was created on 2005-07-19 and last modified on 2023-11-25.
The IUPAC Name is 3-fluoro-4-methoxybenzoyl chloride.
The InChI is InChI=1S/C8H6ClFO2/c1-12-7-3-2-5(8(9)11)4-6(7)10/h2-4H,1H3.
The Canonical SMILES is COC1=C(C=C(C=C1)C(=O)Cl)F.
The molecular weight is 188.58 g/mol.
The CAS number is 3907-15-1.
There are 3 hydrogen bond acceptors.
The topological polar surface area is 26.3Ų.
Yes, the compound is canonicalized.