InChI=1/C6H5.CBr3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;/rC7H5Br3Hg/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H

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Search term: C7H5Br3Hg
Found by empirical formula

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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 Copy

InChI:

InChI=1/C6H5.CBr3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;/rC7H5Br3Hg/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H Copy

InChIKey:

PLHSKXBFZPAQOD-YHXVOMQPAI

Std. InChI:

InChI=1S/C6H5.CBr3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;; Copy

Std. InChIKey:

PLHSKXBFZPAQOD-UHFFFAOYSA-N

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Identifiers

Predicted Properties

Pred. Prop. (ACD/Labs)
NMRShiftDB

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

Royal Society of Chemistry