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| CAS No.: | 160233-76-1 |
|---|---|
| Name: | 6-Bromoquinoline-4-carboxylic acid |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C10H6BrNO2 |
| Molecular Weight: | 252.067 |
| Synonyms: | 4-quinolinecarboxylic acid, 6-bromo-; 6-Bromoquinoline-4-carboxylic acid |
| Density: | 1.732 g/cm3 |
| Boiling Point: | 403.1 °C at 760 mmHg |
| Flash Point: | 197.6 °C |
| PSA: | 50.19000 |
| LogP: | 2.69550 |
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Specification
The 6-Bromoquinoline-4-carboxylic acid is an organic compound with the formula C10H6BrNO2. The systematic name of this chemical is 6-bromoquinoline-4-carboxylic acid. With the CAS registry number 160233-76-1, it is also named as 4-quinolinecarboxylic acid, 6-bromo-.
Physical properties about 6-Bromoquinoline-4-carboxylic acid are: (1)ACD/LogP: 2.51; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.01; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 50.19 Å2; (10)Index of Refraction: 1.709; (11)Molar Refractivity: 56.8 cm3; (12)Molar Volume: 145.4 cm3; (13)Polarizability: 22.51×10-24cm3; (14)Surface Tension: 68 dyne/cm; (15)Density: 1.732 g/cm3; (16)Flash Point: 197.6 °C; (17)Enthalpy of Vaporization: 69 kJ/mol; (18)Boiling Point: 403.1 °C at 760 mmHg; (19)Vapour Pressure: 3.21E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccnc2ccc(Br)cc12
(2)InChI: InChI=1/C10H6BrNO2/c11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9/h1-5H,(H,13,14)
(3)InChIKey: QKZZTVSKZXPJAC-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H6BrNO2/c11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9/h1-5H,(H,13,14)
(5)Std. InChIKey: QKZZTVSKZXPJAC-UHFFFAOYSA-N