Basic Information | Post buying leads | Suppliers |
Name |
2-Quinoxalineaceticacid, 3-chloro-a-cyano-,methyl ester |
EINECS | N/A |
CAS No. | 10176-23-5 | Density | 1.411 g/cm3 |
PSA | 75.87000 | LogP | 2.06338 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H8ClN3O2 | Boiling Point | 396.689 °C at 760 mmHg |
Molecular Weight | 261.667 | Flash Point | 193.711 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
methyl (2R)-(3-chloroquinoxalin-2-yl)(cyano)ethanoate; methyl (2S)-(3-chloroquinoxalin-2-yl)(cyano)ethanoate |
The 2-Quinoxalineaceticacid, 3-chloro-a-cyano-,methyl ester, with the CAS registry number 10176-23-5, has the molecular formula C12H8ClN3O2, and its formula weight is 261.6638. What's more, its systematic name is called methyl (3-chloroquinoxalin-2-yl)(cyano)acetate .
Physical properties of 2-Quinoxalineaceticacid, 3-chloro-a-cyano-,methyl ester: (1)ACD/LogP: 0.78; (2)#H bond acceptors: 5; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.627; (6)Molar Refractivity: 65.679 cm3; (7)Molar Volume: 185.392 cm3; (8)Surface Tension: 63.395 dyne/cm; (9)Density: 1.411 g/cm3; (10)Flash Point: 193.711 °C; (11)Enthalpy of Vaporization: 64.702 kJ/mol; (12)Boiling Point: 396.689 °C at 760 mmHg; (13)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)C(C#N)c1nc2ccccc2nc1Cl
(2)InChI: InChI=1/C12H8ClN3O2/c1-18-12(17)7(6-14)10-11(13)16-9-5-3-2-4-8(9)15-10/h2-5,7H,1H3
(3)InChIKey: YGDTUUXGELOIDG-UHFFFAOYAE