hexabromo-1,3,5,2$l^{5},4$l^{5},6$l^{5}-triazatriphosphinine

• ChemBase ID: 87050
• Molecular Formular: Br6N3P3
• Molecular Mass: 614.365383
• Monoisotopic Mass: 608.44052891
• SMILES: P1(=NP(=NP(=N1)(Br)Br)(Br)Br)(Br)Br
• Canonical SMILES: BrP1(=NP(=NP(=N1)(Br)Br)(Br)Br)Br
• InChI: InChI=1S/Br6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10
• InChIKey: BISNZAMPUNENFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexabromo-1,3,5,2$l^{5},4$l^{5},6$l^{5}-triazatriphosphinine; hexabromo-1,3,5,2λ^5,4λ^5,6λ^5-triazatriphosphinine
• IUPAC Traditional name: hexabromo-1,3,5,2$l^{5},4$l^{5},6$l^{5}-triazatriphosphinine; hexabromo-1,3,5,2λ^5,4λ^5,6λ^5-triazatriphosphinine
• Synonyms: 2,2,4,4,6,6-hexabromo-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine

Database IDs

• MDL Number: MFCD00457713
• PubChem SID: 162074166
• PubChem CID: 123319

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0710166
• LogD (pH = 7.4): 3.0710196
• Log P: 3.0710196
• Molar Refractivity: 83.0994 cm^3
• Polarizability: 31.23927 Å^3
• Polar Surface Area: 37.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: TECH