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4-Quinolinecarboxylic acid, 2-bromo-

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Name

4-Quinolinecarboxylic acid, 2-bromo-

EINECS N/A
CAS No. 15733-87-6 Density 1.733 g/cm3
PSA 50.19000 LogP 2.69550
Solubility N/A Melting Point 175-176 °C(Solv: ethanol (64-17-5))
Formula C10H6BrNO2 Boiling Point 394.691 °C at 760 mmHg
Molecular Weight 252.067 Flash Point 192.503 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 15733-87-6 (2-BROMOQUINOLINE-4-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

2-BROMOQUINOLINE-4-CARBOXYLIC ACID

Article Data 5

4-Quinolinecarboxylic acid, 2-bromo- Specification

The CAS registry number of 4-Quinolinecarboxylic acid, 2-bromo- is 15733-87-6. This chemical's molecular formula is C10H6BrNO2 and molecular weight is 252.0641. What's more, its systematic name is 2-Bromoquinoline-4-carboxylic acid.

Physical properties about 4-Quinolinecarboxylic acid, 2-bromo- are: (1)ACD/LogP: 3.44; (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: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.19 Å2; (11)Index of Refraction: 1.709; (12)Molar Refractivity: 56.807 cm3; (13)Molar Volume: 145.487 cm3; (14)Polarizability: 22.52×10-24 cm3; (15)Surface Tension: 68.061 dyne/cm; (16)Density: 1.733 g/cm3; (17)Flash Point: 192.503 °C; (18)Enthalpy of Vaporization: 67.998 kJ/mol; (19)Boiling Point: 394.691 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cc(Br)nc2ccccc12
(2) InChI: InChI=1/C10H6BrNO2/c11-9-5-7(10(13)14)6-3-1-2-4-8(6)12-9/h1-5H,(H,13,14)
(3) InChIKey: LUHABDKNXNXNTO-UHFFFAOYAB

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