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CAS No.: | 1000339-23-0 |
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Name: | 2-Amino-5-bromoisonicotinic acid |
Molecular Structure: | |
Formula: | C6H5BrN2O2 |
Molecular Weight: | 217.0201 |
Synonyms: | 2-Amino-5-bromo-4-pyridinecarboxylic acid; |
Density: | 1.909 g/cm3 |
Boiling Point: | 464.1 °C at 760 mmHg |
Flash Point: | 234.5 °C |
Hazard Symbols: | Xi |
PSA: | 76.21000 |
LogP: | 1.70570 |
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The 2-Amino-5-bromoisonicotinic acid, with the CAS registry number 1000339-23-0, is also known as 2-Amino-5-bromo-4-pyridinecarboxylic acid. This chemical's molecular formula is C6H5BrN2O2 and molecular weight is 217.0201. What's more, its systematic name is 4-Pyridinecarboxylic acid, 2-amino-5-bromo-. And the chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-Amino-5-bromoisonicotinic acid are: (1)ACD/LogP: 1.45; (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: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (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)Polarizability: 17.12×10-24 cm3; (15)Surface Tension: 79.9 dyne/cm; (16)Density: 1.909 g/cm3; (17)Flash Point: 234.5 °C; (18)Enthalpy of Vaporization: 76.44 kJ/mol; (19)Boiling Point: 464.1 °C at 760 mmHg; (20)Vapour Pressure: 2.05E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(c(cnc1N)Br)C(=O)O
(2) InChI: InChI=1/C6H5BrN2O2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H2,8,9)(H,10,11)
(3) InChIKey: JJJKKHUIIDAXKW-UHFFFAOYAX