Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
2-BROMOQUINOLINE-4-CARBOXYLIC ACID |
Article Data | 5 |
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