bromocyclododecane

• ChemBase ID: 79427
• Molecular Formular: C12H23Br
• Molecular Mass: 247.21502
• Monoisotopic Mass: 246.09831274
• SMILES: BrC1CCCCCCCCCCC1
• Canonical SMILES: BrC1CCCCCCCCCCC1
• InChI: InChI=1S/C12H23Br/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2
• InChIKey: IADKAKQBSKWITE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromocyclododecane
• IUPAC Traditional name: bromocyclododecane
• Synonyms: 1-bromocyclododecane

Database IDs

• CAS Number: 7795-35-9
• MDL Number: MFCD00180592
• PubChem SID: 162044190
• PubChem CID: 2775080

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4881926
• LogD (pH = 7.4): 5.4881926
• Log P: 5.4881926
• Molar Refractivity: 62.916 cm^3
• Polarizability: 24.69343 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: TECH