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CAS No.: | 945-23-3 |
---|---|
Name: | N-ETHYL-2-NITROBENZAMIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H10N2O3 |
Molecular Weight: | 194.19 |
Synonyms: | N-Ethyl(2-nitrophenyl)carboxamide; |
Density: | 1.228 g/cm3 |
Boiling Point: | 365.9 °C at 760 mmHg |
Flash Point: | 175.1 °C |
PSA: | 74.92000 |
LogP: | 2.25860 |
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The Benzamide,N-ethyl-2-nitro-, with the CAS registry number of 945-23-3, is also known as N-Ethyl(2-nitrophenyl)carboxamide. This chemical's molecular formula is C9H10N2O3 and molecular weight is 194.19. What's more, its systematic name is N-Ethyl-2-nitrobenzamide.
Physical properties about the Benzamide,N-ethyl-2-nitro- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.97; (6)ACD/BCF (pH 7.4): 10.97; (7)ACD/KOC (pH 5.5): 193.29; (8)ACD/KOC (pH 7.4): 193.29; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 51.05 cm3; (15)Molar Volume: 158.1 cm3; (16)Surface Tension: 47.7 dyne/cm; (17)Density: 1.228 g/cm3; (18)Flash Point: 175.1 °C; (19)Enthalpy of Vaporization: 61.22 kJ/mol; (20)Boiling Point: 365.9 °C at 760 mmHg; (21)Vapour Pressure: 1.52E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1ccccc1C(=O)NCC
(2) InChI: InChI=1/C9H10N2O3/c1-2-10-9(12)7-5-3-4-6-8(7)11(13)14/h3-6H,2H2,1H3,(H,10,12)
(3) InChIKey: MEUCVEVMNSNATL-UHFFFAOYAJ