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Specification
The molecular formula of 4-Bromo-2-fluorophenylacetic acid is C8H6BrFO2.
The molecular weight of 4-Bromo-2-fluorophenylacetic acid is 233.03 g/mol.
The IUPAC name of 4-Bromo-2-fluorophenylacetic acid is 2-(4-bromo-2-fluorophenyl)acetic acid.
The InChIKey of 4-Bromo-2-fluorophenylacetic acid is PNBIYFPZODYMOO-UHFFFAOYSA-N.
The Canonical SMILES of 4-Bromo-2-fluorophenylacetic acid is C1=CC(=C(C=C1Br)F)CC(=O)O.
The CAS number of 4-Bromo-2-fluorophenylacetic acid is 114897-92-6.
The European Community (EC) Number of 4-Bromo-2-fluorophenylacetic acid is 689-827-1.
The Hydrogen Bond Donor Count of 4-Bromo-2-fluorophenylacetic acid is 1.
The Heavy Atom Count of 4-Bromo-2-fluorophenylacetic acid is 12.
Yes, 4-Bromo-2-fluorophenylacetic acid is a canonicalized compound.