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CAS No.: | 172217-16-2 |
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Name: | 2-CHLORO-6-NITROBENZOIC ACID ETHYL ESTER |
Molecular Structure: | |
Formula: | C9H8ClNO4 |
Molecular Weight: | 229.62 |
Synonyms: | 2-Chloro-6-nitrobenzoic acid ethyl ester; |
Density: | 1.369 g/cm3 |
Boiling Point: | 306.3 °C at 760 mmHg |
Flash Point: | 139.1 °C |
PSA: | 72.12000 |
LogP: | 2.94810 |
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The Benzoic acid,2-chloro-6-nitro-, ethyl ester, also known as 2-Chloro-6-nitrobenzoic acid ethyl ester, is the organic compound with the formula C9H8ClNO4. With the CAS registry number 172217-16-2, its systematic name is ethyl 2-chloro-6-nitro-benzoate.
Physical properties of Benzoic acid,2-chloro-6-nitro-, ethyl ester: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 2.57; (3)ACD/LogD (pH 7.4): 2.57; (4)#H bond acceptors: 5; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.558; (7)Molar Refractivity: 54.09 cm3; (8)Molar Volume: 167.6 cm3; (9)Surface Tension: 48.8 dyne/cm; (10)Density: 1.369 g/cm3; (11)Flash Point: 139.1 °C; (12)Enthalpy of Vaporization: 54.68 kJ/mol; (13)Boiling Point: 306.3 °C at 760 mmHg; (14)Vapour Pressure: 0.000777 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1c(cccc1Cl)[N+]([O-])=O
(2)InChI: InChI=1/C9H8ClNO4/c1-2-15-9(12)8-6(10)4-3-5-7(8)11(13)14/h3-5H,2H2,1H3
(3)InChIKey: DSVPOQALVJHYNO-UHFFFAOYAR