4,5-dibromonaphthalene-1-sulfonyl chloride

• ChemBase ID: 236129
• Molecular Formular: C10H5Br2ClO2S
• Molecular Mass: 384.4715
• Monoisotopic Mass: 381.80655208
• SMILES: S(=O)(=O)(c1c2c(c(cc1)Br)c(Br)ccc2)Cl
• Canonical SMILES: Brc1ccc(c2c1c(Br)ccc2)S(=O)(=O)Cl
• InChI: InChI=1S/C10H5Br2ClO2S/c11-7-3-1-2-6-9(16(13,14)15)5-4-8(12)10(6)7/h1-5H
• InChIKey: JHOUHPYNRSSOHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dibromonaphthalene-1-sulfonyl chloride
• IUPAC Traditional name: 4,5-dibromonaphthalene-1-sulfonyl chloride
• Synonyms: 4,5-dibromonaphthalene-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD22196520
• PubChem SID: 164292039
• PubChem CID: 71755647

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.446531
• LogD (pH = 7.4): 4.446531
• Log P: 4.446531
• Molar Refractivity: 71.948 cm^3
• Polarizability: 29.664026 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.07

Product Information

• Purity: 95%