BENZOIC ACID, 3-FLUORO-2-NITRO-, ETHYL ESTER
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BENZOIC ACID, 3-FLUORO-2-NITRO-, ETHYL ESTER
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CAS No:
163077-89-2
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Formula:
C9H8FNO4
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Chemical Name:
BENZOIC ACID, 3-FLUORO-2-NITRO-, ETHYL ESTER
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Synonyms:
Ethyl 3-fluoro-2-nitrobenzoate;3-Fluoro-2-nitrobenzoic acid ethyl ester;3-fluoro-2-nitro benzoic acid ethyl ester;SCHEMBL3785486;CTK8C2807;DTXSID70473141;ANW-69028;ZINC36448888;AKOS016006050;AS06895
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CAS No:
Characteristics
72.1
2.1
1.333±0.06 g/cm3(Predicted)
303.3±27.0 °C(Predicted)
137.2ºC
1.527
0.000937mmHg at 25°C
BENZOIC ACID, 3-FLUORO-2-NITRO-, ETHYL ESTER Use and Manufacturing
Commercially available (Apollo) 3-fluoro-2-nitrobenzoic acid (1.93 g, 10.42 mmol) was dissolved in absolute ethanol (20 mL). Sulfuric acid (0.2 mL) was added and the reaction was placed in a 95 C bath. After 18 h, the solution was cooled to 23 C and poured into sat. NaHCO
Computed Properties
Molecular Weight:213.16
XLogP3:2.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:213.04373590
Monoisotopic Mass:213.04373590
Topological Polar Surface Area:72.1
Heavy Atom Count:15
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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BENZOIC ACID, 3-FLUORO-2-NITRO-, ETHYL ESTER
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