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CAS No.: | 121490-67-3 |
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Name: | 8-BROMOQUINOLINE-4-CARBOXYLIC ACID |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H6BrNO2 |
Molecular Weight: | 252.067 |
Synonyms: | 8-Bromo-4-quinolinecarboxylicacid;8-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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The CAS register number of 4-Quinolinecarboxylicacid, 8-bromo- is 121490-67-3. It also can be called as 8-Bromo-4-quinolinecarboxylicacid and the IUPAC name about this chemical is 8-bromoquinoline-4-carboxylic acid. The molecular formula about this chemical is C10H6BrNO2 and the molecular weight is 252.06.
Physical properties about 4-Quinolinecarboxylicacid, 8-bromo- are: (1)ACD/LogP: 2.53; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (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: 22.51x10-24cm3; (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)c1ccnc2c(Br)cccc12
(2)InChI: InChI=1/C10H6BrNO2/c11-8-3-1-2-6-7(10(13)14)4-5-12-9(6)8/h1-5H,(H,13,14)
(3)InChIKey: HLEBPQHZLBSIJC-UHFFFAOYAO