8-chloro-2H-chromene-3-sulfonyl chloride

• ChemBase ID: 281906
• Molecular Formular: C9H6Cl2O3S
• Molecular Mass: 265.11314
• Monoisotopic Mass: 263.94147041
• SMILES: S(=O)(=O)(C1=Cc2c(OC1)c(Cl)ccc2)Cl
• Canonical SMILES: Clc1cccc2c1OCC(=C2)S(=O)(=O)Cl
• InChI: InChI=1S/C9H6Cl2O3S/c10-8-3-1-2-6-4-7(15(11,12)13)5-14-9(6)8/h1-4H,5H2
• InChIKey: DVDOSNOHDJRZNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2H-chromene-3-sulfonyl chloride
• IUPAC Traditional name: 8-chloro-2H-chromene-3-sulfonyl chloride
• Synonyms: 8-chloro-2H-chromene-3-sulfonyl chloride

Database IDs

• MDL Number: MFCD16040194
• PubChem SID: 180667437
• PubChem CID: 47003559

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3597836
• LogD (pH = 7.4): 2.3597836
• Log P: 2.3597836
• Molar Refractivity: 60.3048 cm^3
• Polarizability: 23.717253 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.758

Product Information

• Purity: 95%