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

• ChemBase ID: 306922
• Molecular Formular: C9H7ClO4
• Molecular Mass: 214.60248
• Monoisotopic Mass: 214.00328638
• SMILES: c1(c(OCC(=O)O)ccc(c1)C=O)Cl
• Canonical SMILES: O=Cc1ccc(c(c1)Cl)OCC(=O)O
• InChI: InChI=1S/C9H7ClO4/c10-7-3-6(4-11)1-2-8(7)14-5-9(12)13/h1-4H,5H2,(H,12,13)
• InChIKey: DRHXJZFYAKPTSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 52268-20-9
• MDL Number: MFCD03030919

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.96575344
• LogD (pH = 7.4): -1.8776606
• Log P: 1.6101049
• Molar Refractivity: 49.9946 cm^3
• Polarizability: 19.128633 Å^3
• Polar Surface Area: 63.6 Å^2