6-Quinoxalinecarboxylicacid, 2-phenyl- supplier

Name
2-PHENYLQUINOXALINE-6-CARBOXYLIC ACID
EINECS
CAS No. 71897-04-6
Article Data1
CAS DataBase
Density 1.332 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₀N₂O₂
Boiling Point 456 °C at 760 mmHg
Molecular Weight 250.257
Flash Point 229.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Phenylquinoxaline-6-carboxylicacid;
PSA 63.08000
LogP 2.99500

6-Quinoxalinecarboxylicacid, 2-phenyl- Specification

The 6-Quinoxalinecarboxylicacid, 2-phenyl- has the CAS registry number 71897-04-6. This chemical's molecular formula is C₁₅H₁₀N₂O₂ and molecular weight is 250.25. What's more, its systematic name is 2-Phenylquinoxaline-6-carboxylic acid.

Physical properties of 6-Quinoxalinecarboxylicacid, 2-phenyl- are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.31; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.08 Å²; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 71.79 cm³; (15)Molar Volume: 187.8 cm³; (16)Polarizability: 28.46×10^-24cm³; (17)Surface Tension: 65.7 dyne/cm; (18)Density: 1.332 g/cm³; (19)Flash Point: 229.6 °C; (20)Enthalpy of Vaporization: 75.43 kJ/mol; (21)Boiling Point: 456 °C at 760 mmHg; (22)Vapour Pressure: 4.17E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc2nc(cnc2c1)c3ccccc3
(2)InChI: InChI=1S/C15H10N2O2/c18-15(19)11-6-7-12-13(8-11)16-9-14(17-12)10-4-2-1-3-5-10/h1-9H,(H,18,19)
(3)InChIKey: MZFFTLUZYSAFDD-UHFFFAOYSA-N

Product Name

2-PHENYLQUINOXALINE-6-CARBOXYLIC ACID

6-Quinoxalinecarboxylicacid, 2-phenyl- Specification

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