CAS
103694-84-4 Purity
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103694-84-4 Purity
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Specification
The molecular formula is C8H6F2O2.
The molecular weight is 172.13 g/mol.
The IUPAC name is 2,5-difluoro-4-methylbenzoic acid.
The Canonical SMILES representation is CC1=CC(=C(C=C1F)C(=O)O)F.
The InChIKey is PWWMQUUDAAWEBK-UHFFFAOYSA-N.
The EC Number is 676-403-6.
The XLogP3-AA value is 2.
It has 4 hydrogen bond acceptors.
The topological polar surface area is 37.3 Ǻ².
Yes, the compound is canonicalized.