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| CAS No.: | 55764-58-4 |
|---|---|
| Name: | 2-hydrazino-6-nitroquinoline-4-carboxylic acid |
| Molecular Structure: | |
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| Formula: | C10H8N4O4 |
| Molecular Weight: | 248.198 |
| Synonyms: | 4-Quinolinecarboxylicacid, 2-hydrazino-6-nitro- (9CI); |
| Density: | 1.679g/cm3 |
| Boiling Point: | 558.1 °C at 760 mmHg |
| Flash Point: | 291.3 °C |
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Specification
The 4-Quinolinecarboxylicacid, 2-hydrazinyl-6-nitro-, with CAS registry number 55764-58-4, has the systematic name of 2-hydrazino-6-nitroquinoline-4-carboxylic acid. Its molecular weight is 248.1949. And the chemical formula of this chemical is C10H8N4O4.
Physical properties of 4-Quinolinecarboxylicacid, 2-hydrazinyl-6-nitro-: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.83; (4)ACD/LogD (pH 7.4): -2.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 91.49 Å2; (13)Index of Refraction: 1.817; (14)Molar Refractivity: 64.17 cm3; (15)Molar Volume: 147.7 cm3; (16)Polarizability: 25.44×10-24cm3; (17)Surface Tension: 103.2 dyne/cm; (18)Density: 1.679 g/cm3; (19)Flash Point: 291.3 °C; (20)Enthalpy of Vaporization: 88.39 kJ/mol; (21)Boiling Point: 558.1 °C at 760 mmHg; (22)Vapour Pressure: 2.72E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2nc(cc(c2c1)C(=O)O)NN
(2)InChI: InChI=1/C10H8N4O4/c11-13-9-4-7(10(15)16)6-3-5(14(17)18)1-2-8(6)12-9/h1-4H,11H2,(H,12,13)(H,15,16)
(3)InChIKey: AOESJQMJAJVICJ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H8N4O4/c11-13-9-4-7(10(15)16)6-3-5(14(17)18)1-2-8(6)12-9/h1-4H,11H2,(H,12,13)(H,15,16)
(5)Std. InChIKey: AOESJQMJAJVICJ-UHFFFAOYSA-N