1-chloro-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 258356
• Molecular Formular: C10H11Cl
• Molecular Mass: 166.64734
• Monoisotopic Mass: 166.05492803
• SMILES: c12c(CCCC1Cl)cccc2
• Canonical SMILES: ClC1CCCc2c1cccc2
• InChI: InChI=1S/C10H11Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2
• InChIKey: URZAPYFJGQXLKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 1-chloro-1,2,3,4-tetrahydronaphthalene
• Synonyms: 1-chloro-1,2,3,4-tetrahydronaphthalene

Database IDs

• CAS Number: 113110-47-7
• MDL Number: MFCD10694921
• PubChem SID: 164314266
• PubChem CID: 188717

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.549281
• LogD (pH = 7.4): 3.549281
• Log P: 3.549281
• Molar Refractivity: 48.1067 cm^3
• Polarizability: 18.701797 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.897

Product Information

• Purity: 95%; 97%