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67973-20-0

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Basic Information
CAS No.: 67973-20-0
Name: 3-BROMO-5-HYDROXY-2,6-DINITRO-BENZOIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 67973-20-0 (3-BROMO-5-HYDROXY-2,6-DINITRO-BENZOIC ACID)
Formula: C7H3BrN2O7
Molecular Weight: 307.014
Synonyms: 3-Bromo-5-hydroxy-2,6-dinitrobenzoic acid;3-Bromo-5-hydroxy-2,6-dinitro-benzoic acid;
Density: 2.188 g/cm3
Melting Point: 174-175 °C(Solv: benzene (71-43-2))
Boiling Point: 420.8 °C at 760 mmHg
Flash Point: 208.3 °C
PSA: 149.17000
LogP: 2.71570
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Specification

The Benzoicacid, 3-bromo-5-hydroxy-2,6-dinitro-, with the CAS registry number 67973-20-0, is also known as 3-Bromo-5-hydroxy-2,6-dinitro-benzoic acid. This chemical's molecular formula is C7H3BrN2O7 and molecular weight is 307.01. What's more, its systematic name is 3-Bromo-5-hydroxy-2,6-dinitrobenzoic acid.

Physical properties of Benzoicacid, 3-bromo-5-hydroxy-2,6-dinitro- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 9; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 149.17 Å2; (11)Index of Refraction: 1.727; (12)Molar Refractivity: 55.84 cm3; (13)Molar Volume: 140.2 cm3; (14)Polarizability: 22.13×10-24 cm3; (15)Surface Tension: 102.1 dyne/cm; (16)Density: 2.188 g/cm3; (17)Flash Point: 208.3 °C; (18)Enthalpy of Vaporization: 71.13 kJ/mol; (19)Boiling Point: 420.8 °C at 760 mmHg; (20)Vapour Pressure: 7.81E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1c(c(c(O)cc1Br)N(=O)=O)C(O)=O
(2)InChI: InChI=1/C7H3BrN2O7/c8-2-1-3(11)6(10(16)17)4(7(12)13)5(2)9(14)15/h1,11H,(H,12,13)
(3)InChIKey: DMSNDYRBUGDIIU-UHFFFAOYSA-N