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25771-65-7

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Basic Information
CAS No.: 25771-65-7
Name: 8-nitro-4-phenylquinoline
Article Data: 5
Molecular Structure:
Molecular Structure of 25771-65-7 (8-nitro-4-phenylquinoline)
Formula: C15H10N2O2
Molecular Weight: 250.257
Synonyms: 8-Nitro-4-phenylquinoline;Quinoline, 8-nitro-4-phenyl-;
EINECS: 247-254-0
Density: 1.29 g/cm3
Melting Point: 126℃ (ethanol )
Boiling Point: 424.1 °C at 760 mmHg
Flash Point: 210.3 °C
PSA: 58.71000
LogP: 4.33320
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Specification

This chemical is called 8-Nitro-4-phenylquinoline, and it can also be named as Quinoline, 8-nitro-4-phenyl-. With the molecular formula of C15H10N2O2, its molecular weight is 250.25. The CAS registry number of this chemical is 25771-65-7.  

Other characteristics of the 8-Nitro-4-phenylquinoline can be summarised as followings: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 166.68; (6)ACD/BCF (pH 7.4): 166.69; (7)ACD/KOC (pH 5.5): 1355.28; (8)ACD/KOC (pH 7.4): 1355.37; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 73.32 cm3; (15)Molar Volume: 193.8 cm3; (16)Polarizability: 29.06×10-24cm3; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 210.3 °C; (20)Enthalpy of Vaporization: 65.22 kJ/mol; (21)Boiling Point: 424.1 °C at 760 mmHg; (22)Vapour Pressure: 5.25E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1cccc2c(ccnc12)c3ccccc3
2.InChI: InChI=1/C15H10N2O2/c18-17(19)14-8-4-7-13-12(9-10-16-15(13)14)11-5-2-1-3-6-11/h1-10H
3.InChIKey: NKDNDDSXVZUMQC-UHFFFAOYAR