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| CAS No.: | 84946-14-5 |
|---|---|
| Name: | N-(2-hydroxyethyl)-2-nitrobenzamide |
| Molecular Structure: | |
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| Formula: | C9H10N2O4 |
| Molecular Weight: | 210.189 |
| Synonyms: | N-(2-hydroxyethyl)-2-nitrobenzamide;Einecs 284-617-2 |
| EINECS: | 284-617-2 |
| Density: | 1.35 g/cm3 |
| Boiling Point: | 445.3 °C at 760 mmHg |
| Flash Point: | 223.1 °C |
| PSA: | 98.64000 |
| LogP: | 1.41490 |
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Specification
The CAS registry number of Benzamide, N-(2-hydroxyethyl)-2-nitro- is 84946-14-5. This chemical's molecular formula is C9H10N2O4 and molecular weight is 210.1867. What's more, both its IUPAC name and systematic name are the same which is called N-(2-hydroxyethyl)-2-nitrobenzamide.
Physical properties about Benzamide, N-(2-hydroxyethyl)-2-nitro- are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 0.65; (5)ACD/BCF (pH 5.5): 1.83; (6)ACD/BCF (pH 7.4): 1.83; (7)ACD/KOC (pH 5.5): 53.73; (8)ACD/KOC (pH 7.4): 53.73; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 75.36 Å2; (13)Index of Refraction: 1.59; (14) Molar Refractivity: 52.58 cm3; (15)Molar Volume: 155.6 cm3; (16)Polarizability: 20.84×10-24 cm3; (17)Surface Tension: 59.5 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 223.1 °C; (20)Enthalpy of Vaporization: 74.12 kJ/mol; (21)Boiling Point: 445.3 °C at 760 mmHg; (22)Vapour Pressure: 1.03E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccccc1C(=O)NCCO
(2)InChI: InChI=1/C9H10N2O4/c12-6-5-10-9(13)7-3-1-2-4-8(7)11(14)15/h1-4,12H,5-6H2,(H,10,13)
(3)InChIKey: DDHRZXUHAFEJIO-UHFFFAOYAQ