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CAS No.: | 15241-23-3 |
---|---|
Name: | [(Z)-2-Nitroethenyl]benzene |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C8H7NO2 |
Molecular Weight: | 149.149 |
Synonyms: | Benzene,(2-nitroethenyl)-, (Z)-;Styrene, b-nitro-, (Z)- (8CI);cis-b-Nitrostyrene; |
Density: | 1.177g/cm3 |
Boiling Point: | 255.8 °C at 760 mmHg |
Flash Point: | 117.5 °C |
PSA: | 45.82000 |
LogP: | 2.45720 |
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The (Z)-2-Nitroethenylbenzene, with CAS registry number 15241-23-3, has the systematic name of [(Z)-2-nitroethenyl]benzene. And its IUPAC name is 2-nitroethenylbenzene. Besides this, it is also called benzene, [(Z)-2-nitroethenyl]-. And the chemical formula of this chemical is C8H7NO2.
Physical properties of (Z)-2-Nitroethenylbenzene: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.82 Å2; (7)Index of Refraction: 1.603; (8)Molar Refractivity: 43.53 cm3; (9)Molar Volume: 126.6 cm3; (10)Polarizability: 17.25×10-24cm3; (11)Surface Tension: 45.4 dyne/cm; (12)Enthalpy of Vaporization: 47.34 kJ/mol; (13)Vapour Pressure: 0.0255 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)\C=C/c1ccccc1
(2)InChI: InChI=1/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6-
(3)InChIKey: PIAOLBVUVDXHHL-SREVYHEPBG
(4)Std. InChI: InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6-
(5)Std. InChIKey: PIAOLBVUVDXHHL-SREVYHEPSA-N