2-chloro-5-hydroxybenzaldehyde

• ChemBase ID: 60146
• Molecular Formular: C7H5ClO2
• Molecular Mass: 156.5664
• Monoisotopic Mass: 155.99780708
• SMILES: c1c(ccc(c1C=O)Cl)O
• Canonical SMILES: O=Cc1cc(O)ccc1Cl
• InChI: InChI=1S/C7H5ClO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H
• InChIKey: BAYTZPDBXASXLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-hydroxybenzaldehyde
• IUPAC Traditional name: 2-chloro-5-hydroxybenzaldehyde
• Synonyms: 2-Chloro-5-hydroxybenzaldehyde

Database IDs

• CAS Number: 7310-94-3
• MDL Number: MFCD07783652
• PubChem SID: 162025887
• PubChem CID: 21294524

CALCULATED PROPERTIES

• Acid pKa: 8.511643
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9858077
• LogD (pH = 7.4): 1.9540958
• Log P: 1.9862275
• Molar Refractivity: 39.4277 cm^3
• Polarizability: 14.746478 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%