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6-Quinolinecarboxylicacid, 4-bromo- (219763-87-8)

Identification
Name:6-Quinolinecarboxylicacid, 4-bromo-
Synonyms:4-bromoquinoline-6-carboxylic acid
CAS:219763-87-8
Molecular Formula: C10H6 Br N O2
Molecular Weight: 0
InChI: InChI=1/C10H6BrNO2/c11-8-3-4-12-9-2-1-6(10(13)14)5-7(8)9/h1-5H,(H,13,14)
Molecular Structure: (C10H6BrNO2) 4-bromoquinoline-6-carboxylic acid
Properties
Density:1.733 g/cm3
Refractive index:1.709
Specification:

The cas register number of Ethyl imidazole-2-carboxylate is 219763-87-8. It also can be called as 4-bromoquinoline-6-carboxylic acid and the Systematic name about this chemical is 4-Bromoquinoline-6-carboxylic acid.

Physical properties about Ethyl imidazole-2-carboxylater are: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 50.19Å2; (12)Index of Refraction: 1.709; (13)Molar Refractivity: 56.807 cm3; (14)Molar Volume: 145.487 cm3; (15)Surface Tension: 68.061 dyne/cm; (16)Density: 1.733 g/cm3; (17)Flash Point: 197.567 °C; (18)Enthalpy of Vaporization: 68.998 kJ/mol; (19)Boiling Point: 403.065 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: OC(=O)c1ccc2nccc(Br)c2c1
2.InChI: InChI=1/C10H6BrNO2/c11-8-3-4-12-9-2-1-6(10(13)14)5-7(8)9/h1-5H,(H,13,14) 
3.InChIKey: LXDXJSHQARTINV-UHFFFAOYAV
4.Std. InChI: InChI=1S/C10H6BrNO2/c11-8-3-4-12-9-2-1-6(10(13)14)5-7(8)9/h1-5H,(H,13,14)

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