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Phenol,2,3,6-tribromo-4-methyl- (36776-51-9)

Identification
Name:Phenol,2,3,6-tribromo-4-methyl-
Synonyms:p-Cresol,2,3,6-tribromo- (6CI);2,3,6-Tribromo-4-methylphenol;2,3,6-Tribromo-p-cresol;
CAS:36776-51-9
Molecular Formula: C7H5Br3O
Molecular Weight: 344.83
InChI: InChI=1/C7H5Br3O/c1-3-2-4(8)7(11)6(10)5(3)9/h2,11H,1H3
Molecular Structure: (C7H5Br3O) p-Cresol,2,3,6-tribromo- (6CI);2,3,6-Tribromo-4-methylphenol;2,3,6-Tribromo-p-cresol;
Properties
Density:2.258g/cm3
Refractive index:1.655
Specification:

The 2,3,6-Tribromo-4-methylphenol with cas registry number of 36776-51-9, has the systematic name of 2,3,6-tribromo-4-methylphenol. And it is also named phenol, 2,3,6-tribromo-4-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 2719; (6)ACD/BCF (pH 7.4): 215; (7)ACD/KOC (pH 5.5): 9548; (8)ACD/KOC (pH 7.4): 756; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 56.03 cm3; (15)Molar Volume: 152.693 cm3; (16)Polarizability: 22.212×10-24cm3; (17)Surface Tension: 52.706 dyne/cm; (18)Enthalpy of Vaporization: 54.547 kJ/mol; (19)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Cc1cc(Br)c(O)c(Br)c1Br;
(2)InChI: InChI=1/C7H5Br3O/c1-3-2-4(8)7(11)6(10)5(3)9/h2,11H,1H3;
(3)InChIKey: FTGDPJRWRYCBFF-UHFFFAOYAL;
(4)Std. InChI: InChI=1S/C7H5Br3O/c1-3-2-4(8)7(11)6(10)5(3)9/h2,11H,1H3;
(5)Std. InChIKey: FTGDPJRWRYCBFF-UHFFFAOYSA-N

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