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CAS No.: | 1189513-50-5 |
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Name: | 3-Bromo-5-chloropyridine-2-carboxylic acid |
Molecular Structure: | |
Formula: | C6H3BrClNO2 |
Molecular Weight: | 236.45 |
Synonyms: | 3-Bromo-5-chloropyridine-2-carboxylic acid;3-Bromo-2-carboxy-5-chloropyridine, 3-Bromo-5-chloropicolinic acid;3-broMo-5-chloropyridin-2-carboxylic acid |
Density: | 1.917 g/cm3 |
Boiling Point: | 330.106 °C at 760 mmHg |
Flash Point: | 153.443 °C |
PSA: | 50.19000 |
LogP: | 2.19570 |
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The 3-Bromo-5-chloro-2-pyridinecarboxylic acid, with the CAS registry number 1189513-50-5, is also known as 2-Pyridinecarboxylic acid, 3-bromo-5-chloro-. This chemical's molecular formula is C6H3BrClNO2 and molecular weight is 236.45. What's more, its systematic name is 3-Bromo-5-chloro-2-pyridinecarboxylic acid.
Physical properties of 3-Bromo-5-chloro-2-pyridinecarboxylic acid are: (1)ACD/LogP: 1.363; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -1.78; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.19 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 43.859 cm3; (15)Molar Volume: 123.322 cm3; (16)Polarizability: 17.387×10-24cm3; (17)Surface Tension: 64.8 dyne/cm; (18)Density: 1.917 g/cm3; (19)Flash Point: 153.443 °C; (20)Enthalpy of Vaporization: 60.448 kJ/mol; (21)Boiling Point: 330.106 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(c1Br)C(=O)O)Cl
(2)Std. InChI: InChI=1S/C6H3BrClNO2/c7-4-1-3(8)2-9-5(4)6(10)11/h1-2H,(H,10,11)
(3)Std. InChIKey: IUWXGYGVXBPNHT-UHFFFAOYSA-N