1,3,5,7-tetrabromoadamantane

• ChemBase ID: 261677
• Molecular Formular: C10H12Br4
• Molecular Mass: 451.81828
• Monoisotopic Mass: 447.76724838
• SMILES: C12(CC3(CC(C1)(CC(C3)(C2)Br)Br)Br)Br
• Canonical SMILES: BrC12CC3(Br)CC(C2)(CC(C1)(C3)Br)Br
• InChI: InChI=1S/C10H12Br4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h1-6H2
• InChIKey: SWVWJFWKWBFPID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5,7-tetrabromoadamantane
• IUPAC Traditional name: 1,3,5,7-tetrabromoadamantane
• Synonyms: 1,3,5,7-tetrabromoadamantane

Database IDs

• MDL Number: MFCD00193968
• PubChem SID: 164317587
• PubChem CID: 632907

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3507922
• LogD (pH = 7.4): 3.3507922
• Log P: 3.3507922
• Molar Refractivity: 72.8008 cm^3
• Polarizability: 28.740269 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 242 - 244°C
• Hydrophobicity(logP): 4.914

Product Information

• Purity: 95%