5-bromonaphthalene-1-carbonyl chloride

• ChemBase ID: 120426
• Molecular Formular: C11H6BrClO
• Molecular Mass: 269.52174
• Monoisotopic Mass: 267.92905449
• SMILES: c12c(C(=O)Cl)cccc1c(Br)ccc2
• Canonical SMILES: ClC(=O)c1cccc2c1cccc2Br
• InChI: InChI=1S/C11H6BrClO/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H
• InChIKey: ABBNELIHGHZIDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromonaphthalene-1-carbonyl chloride
• IUPAC Traditional name: 5-bromonaphthalene-1-carbonyl chloride
• Synonyms: 5-bromo-1-naphthoyl chloride

Database IDs

• PubChem SID: 162214779
• PubChem CID: 2771883

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9223878
• LogD (pH = 7.4): 3.9223878
• Log P: 3.9223878
• Molar Refractivity: 61.2457 cm^3
• Polarizability: 24.307878 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true