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Specification
The molecular formula of 2',6'-Difluoro-3'-methylacetophenone is C9H8F2O.
The molecular weight of 2',6'-Difluoro-3'-methylacetophenone is 170.16 g/mol.
The IUPAC name of 2',6'-Difluoro-3'-methylacetophenone is 1-(2,6-difluoro-3-methylphenyl)ethanone.
The Canonical SMILES representation of 2',6'-Difluoro-3'-methylacetophenone is CC1=C(C(=C(C=C1)F)C(=O)C)F.
The InChIKey of 2',6'-Difluoro-3'-methylacetophenone is BLSXKYBXBXVYJZ-UHFFFAOYSA-N.
The CAS number of 2',6'-Difluoro-3'-methylacetophenone is 261763-31-9.
The Hydrogen Bond Acceptor Count of 2',6'-Difluoro-3'-methylacetophenone is 3.
The exact mass of 2',6'-Difluoro-3'-methylacetophenone is 170.05432120 g/mol.
2',6'-Difluoro-3'-methylacetophenone has 1 rotatable bond.
Yes, 2',6'-Difluoro-3'-methylacetophenone is a canonicalized compound.