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| CAS No.: | 180340-69-6 |
|---|---|
| Name: | 6-AMINO-5-BROMONICOTINIC ACID |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C6H5BrN2O2 |
| Molecular Weight: | 217.022 |
| Synonyms: | 6-Amino-5-bromonicotinicacid;6-Amino-5-bromopyridine-3-carboxylic acid;6-Amino-5-bromonicotinic acid; |
| Density: | 1.91 g/cm3 |
| Boiling Point: | 378.001 °C at 760 mmHg |
| Flash Point: | 182.409 °C |
| PSA: | 76.21000 |
| LogP: | 1.70570 |
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Specification
The 6-Amino-5-bromonicotinic acid with the cas number 180340-69-6 is also called 3-Pyridinecarboxylicacid, 6-amino-5-bromo-. The systematic name is 6-amino-5-bromopyridine-3-carboxylic acid. Its molecular formula is C6H5BrN2O2. This chemical is irritant. While using this chemical, you should be very cautious.
The properties of the chemical are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 76.21 Å2; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 43.2 cm3; (14)Molar Volume: 113.652 cm3; (15)Polarizability: 17.126×10-24cm3; (16)Surface Tension: 79.982 dyne/cm; (17)Enthalpy of Vaporization: 66.019 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cnc1N)C(O)=O
(2)InChI: InChI=1/C6H5BrN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)
(3)InChIKey: UOUDHTBHPQJUPS-UHFFFAOYAZ