CAS
952479-65-1 Purity
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952479-65-1 Purity
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The molecular formula is C9H6F2O3.
The synonyms are METHYL 2,5-DIFLUORO-3-FORMYLBENZOATE, 952480-00-1, and methyl2,5-difluoro-3-formylbenzoate.
The molecular weight is 200.14 g/mol.
The IUPAC name is methyl 2,5-difluoro-3-formylbenzoate.
The InChI is InChI=1S/C9H6F2O3/c1-14-9(13)7-3-6(10)2-5(4-12)8(7)11/h2-4H,1H3.
The InChIKey is NBISMVWFNSDEKW-UHFFFAOYSA-N.
The canonical SMILES is COC(=O)C1=CC(=CC(=C1F)C=O)F.
The CAS number is 952480-00-1.
Yes, it is a canonicalized compound according to PubChem.