9,10-dibromoanthracene-2-sulfonyl chloride

• ChemBase ID: 166952
• Molecular Formular: C14H7Br2ClO2S
• Molecular Mass: 434.53018
• Monoisotopic Mass: 431.82220214
• SMILES: c1ccc2c(c1)c(c1c(c2Br)ccc(c1)S(=O)(=O)Cl)Br
• Canonical SMILES: Brc1c2cc(ccc2c(c2c1cccc2)Br)S(=O)(=O)Cl
• InChI: InChI=1S/C14H7Br2ClO2S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H
• InChIKey: AZFXTUUUGCMHGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-dibromoanthracene-2-sulfonyl chloride
• IUPAC Traditional name: 9,10-dibromoanthracene-2-sulfonyl chloride
• Synonyms: 9,10-Dibromoanthracene-2-sulfonyl Chloride

Database IDs

• CAS Number: 210174-74-6
• PubChem SID: 162261085
• PubChem CID: 4590264

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.4360075
• LogD (pH = 7.4): 5.4360075
• Log P: 5.4360075
• Molar Refractivity: 88.3982 cm^3
• Polarizability: 36.91374 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Bright Yellow Solid