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| CAS No.: | 52834-08-9 |
|---|---|
| Name: | 4-AMINO-5-BROMO NICOTINIC ACID |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H5BrN2O2 |
| Molecular Weight: | 217.022 |
| Synonyms: | 4-Amino-5-bromo nicotinic acid; |
| Density: | 1.909 g/cm3 |
| Boiling Point: | 396.6 °C at 760 mmHg |
| Flash Point: | 193.7 °C |
| PSA: | 76.21000 |
| LogP: | 1.70570 |
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- Total:21 Page 1 of 1 1
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Specification
The 3-Pyridinecarboxylicacid, 4-amino-5-bromo-, with the CAS registry number 52834-08-9, is also known as 4-Amino-5-bromo nicotinic acid. It belongs to the product category of Pyridine. This chemical's molecular formula is C6H5BrN2O2 and molecular weight is 217.0201. What's more, its systematic name is called 4-Amino-5-bromopyridine-3-carboxylic acid.
Physical properties about 3-Pyridinecarboxylicacid, 4-amino-5-bromo- are: (1)ACD/LogP: 1.83; (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): 1.41; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 76.21 Å2; (11)Index of Refraction: 1.685; (12)Molar Refractivity: 43.2 cm3; (13)Molar Volume: 113.6 cm3; (14)Surface Tension: 79.9 dyne/cm; (15)Density: 1.909 g/cm3; (16)Flash Point: 193.7 °C; (17)Enthalpy of Vaporization: 68.23 kJ/mol; (18)Boiling Point: 396.6 °C at 760 mmHg; (19)Vapour Pressure: 5.3E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1c(cncc1Br)C(O)=O
(2) InChI: InChI=1/C6H5BrN2O2/c7-4-2-9-1-3(5(4)8)6(10)11/h1-2H,(H2,8,9)(H,10,11)
(3) InChIKey: HMWXBQBQGAZHEU-UHFFFAOYAN