2-(4-chloro-2-formylphenoxy)acetic acid

• ChemBase ID: 307702
• Molecular Formular: C9H7ClO4
• Molecular Mass: 214.60248
• Monoisotopic Mass: 214.00328638
• SMILES: c1(c(OCC(=O)O)ccc(c1)Cl)C=O
• Canonical SMILES: O=Cc1cc(Cl)ccc1OCC(=O)O
• InChI: InChI=1S/C9H7ClO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-4H,5H2,(H,12,13)
• InChIKey: VXVIICNFYDEOJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chloro-2-formylphenoxy)acetic acid
• IUPAC Traditional name: FCPA
• Synonyms: (4-chloro-2-formylphenoxy)acetic acid

Database IDs

• CAS Number: 14440-47-2
• MDL Number: MFCD01743493

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9451262
• LogD (pH = 7.4): -1.8754845
• Log P: 1.6101049
• Molar Refractivity: 49.9946 cm^3
• Polarizability: 19.10609 Å^3
• Polar Surface Area: 63.6 Å^2