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Basic Information
CAS No.: 79200-80-9
Name: 2,6-DIBROMO-3,5-DIHYDROXYBENZOIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 79200-80-9 (2,6-DIBROMO-3,5-DIHYDROXYBENZOIC ACID)
Formula: C7H4O4Br2
Molecular Weight: 311.914
Synonyms: 2,6-Dibromo-3,5-dihydroxybenzoic acid;
Density: 2.377 g/cm3
Boiling Point: 426.3 °C at 760 mmHg
Flash Point: 211.6 °C
PSA: 77.76000
LogP: 2.32100
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Specification

The Benzoic acid, 2, 6-dibromo-3, 5-dihydroxy-, with the CAS registry number 79200-80-9, is also known as TL8005371. This chemical's molecular formula is C7H4O4Br2 and molecular weight is 311.91. What's more, its IUPAC name is 2, 6-Dibromo-3, 5-dihydroxybenzoic acid.

Physical properties about Benzoic acid, 2, 6-dibromo-3, 5-dihydroxy- are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.65; (4)ACD/LogD (pH 7.4): -0.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.729; (14)Molar Refractivity: 52.32 cm3; (15)Molar Volume: 131.1 cm3; (16)Polarizability: 20.74×10-24 cm3; (17)Surface Tension: 86.7 dyne/cm; (18)Density: 2.377 g/cm3; (19)Flash Point: 211.6 °C; (20)Enthalpy of Vaporization: 71.8 kJ/mol; (21)Boiling Point: 426.3 °C at 760 mmHg; (22)Vapour Pressure: 5E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c(c(Br)c(O)cc1O)C(=O)O
(2) InChI: InChI=1/C7H4Br2O4/c8-5-2(10)1-3(11)6(9)4(5)7(12)13/h1,10-11H,(H,12,13)
(3) InChIKey: OPXCQMDSRYNBRW-UHFFFAOYAK