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CAS No.: | 929000-66-8 |
---|---|
Name: | 3-Bromo-6-chloro-2-pyridinecarboxylic acid |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H3BrClNO2 |
Molecular Weight: | 236.452 |
Synonyms: | 3-Bromo-6-chloropyridine-2-carboxylic acid |
Density: | 1.917 g/cm3 |
Boiling Point: | 338.9 °C at 760 mmHg |
Flash Point: | 158.8 °C |
PSA: | 50.19000 |
LogP: | 2.19570 |
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This product is an organic compound with the formula C6H3BrClNO2. The systematic name of this chemical is 3-bromo-6-chloro-pyridine-2-carboxylic acid. With the CAS registry number 929000-66-8, it is also named as 2-pyridinecarboxylic acid, 3-bromo-6-chloro-. The product's categories are Blocks; Carboxes; Pyridines. In addition, the molecular weight is 236.45.
The other characteristics of 3-Bromo-6-chloro-2-pyridinecarboxylic acid can be summarized as: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 50.19 Å2; (7)Index of Refraction: 1.629; (8)Molar Refractivity: 43.85 cm3; (9)Molar Volume: 123.3 cm3; (10)Polarizability: 17.38×10-24 cm3; (11)Surface Tension: 64.8 dyne/cm; (12)Density: 1.917 g/cm3; (13)Flash Point: 158.8 °C; (14)Enthalpy of Vaporization: 61.46 kJ/mol; (15)Boiling Point: 338.9 °C at 760 mmHg; (16)Vapour Pressure: 3.7E-05 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:c1cc(nc(c1Br)C(=O)O)Cl
2. InChI:InChI=1/C6H3BrClNO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
3. InChIKey:RDZPMWLHALUNCD-UHFFFAOYAI
4. Std. InChI:InChI=1S/C6H3BrClNO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
5. Std. InChIKey:RDZPMWLHALUNCD-UHFFFAOYSA-N