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Search term: PLHSKXBFZPAQOD-YHXVOMQPAI
Found by InChIKey (full match)
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Inherent Properties, Identifiers and References
ChemSpider ID: 69257
Empirical Formula: C7H5Br3Hg
Molecular Weight: 529.4166
Nominal Mass: 528 Da
Average Mass: 529.4166 Da
Monoisotopic Mass: 527.764715 Da
Systematic Name: phenyl-(tribromomethyl)mercury
SMILES: BrC(Br)(Br)[Hg]c1ccccc1
InChI: InChI=1/C6H5.CBr3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;/rC7H5Br3Hg/c​8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKey: PLHSKXBFZPAQOD-YHXVOMQPAI
Std. InChI: InChI=1S/C6H5.CBr3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;
Std. InChIKey: PLHSKXBFZPAQOD-UHFFFAOYSA-N
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Names and Synonyms

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221-963-5 [EINECS/ELINCS]

mercury, ​phenyl(tr​ibromomet​hyl)-

Phenyl(tr​ibromomet​hyl)mercu​ry

3294-60-8 [RN]

Database ID(s)

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ACD/LogP: 5.19 # of Rule of 5 Violations: 2
ACD/LogD (pH 5.5): 5.19 ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 5.5): 5175.29 ACD/BCF (pH 7.4): 5175.29
ACD/KOC (pH 5.5): 15849.92 ACD/KOC (pH 7.4): 15849.92
#H bond acceptors: 0 #H bond donors: 0
#Freely Rotating Bonds: 1 Polar Surface Area: 0 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C