1,7-dibromo-4-(dibromomethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol

• ChemBase ID: 79725
• Molecular Formular: C10H14Br4O
• Molecular Mass: 469.83356
• Monoisotopic Mass: 465.77781307
• SMILES: BrC12C(C(C(C1O)(C)C)(CC2)C(Br)Br)Br
• Canonical SMILES: BrC(C12CCC(C1Br)(C(C2(C)C)O)Br)Br
• InChI: InChI=1S/C10H14Br4O/c1-8(2)6(15)10(14)4-3-9(8,5(10)11)7(12)13/h5-7,15H,3-4H2,1-2H3
• InChIKey: MXWOGZXJHDUNLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,7-dibromo-4-(dibromomethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
• IUPAC Traditional name: 1,7-dibromo-4-(dibromomethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
• Synonyms: 1,7-dibromo-4-(dibromomethyl)-3,3-dimethylbicyclo[2.2.1]heptan-2-ol

Database IDs

• MDL Number: MFCD00702841
• PubChem SID: 162044488
• PubChem CID: 2775363

CALCULATED PROPERTIES

• Acid pKa: 13.602041
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.33644
• LogD (pH = 7.4): 3.3364398
• Log P: 3.33644
• Molar Refractivity: 75.4779 cm^3
• Polarizability: 30.159142 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true