2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid

• ChemBase ID: 311563
• Molecular Formular: C10H9ClO5
• Molecular Mass: 244.62846
• Monoisotopic Mass: 244.01385107
• SMILES: c1(c(cc(cc1OC)C=O)Cl)OCC(=O)O
• Canonical SMILES: O=Cc1cc(Cl)c(c(c1)OC)OCC(=O)O
• InChI: InChI=1S/C10H9ClO5/c1-15-8-3-6(4-12)2-7(11)10(8)16-5-9(13)14/h2-4H,5H2,1H3,(H,13,14)
• InChIKey: XJVLKGFEFMCVLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
• IUPAC Traditional name: 2-chloro-4-formyl-6-methoxyphenoxyacetic acid
• Synonyms: (2-chloro-4-formyl-6-methoxyphenoxy)acetic acid

Database IDs

• CAS Number: 123022-07-1
• MDL Number: MFCD02256358

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.1379688
• LogD (pH = 7.4): -2.0368114
• Log P: 1.4524336
• Molar Refractivity: 56.4578 cm^3
• Polarizability: 21.694496 Å^3
• Polar Surface Area: 72.83 Å^2