2-[(2-Fluorophenyl)thio]-5-nitrobenzoic acid
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![2-[(2-Fluorophenyl)thio]-5-nitrobenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/45444636b7944a49b9d19d375425b639.png "2-[(2-Fluorophenyl)thio]-5-nitrobenzoic acid")
2-[(2-Fluorophenyl)thio]-5-nitrobenzoic acid
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CAS No:
73129-13-2
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Formula:
C13H8FNO4S
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Chemical Name:
2-[(2-Fluorophenyl)thio]-5-nitrobenzoic acid
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Synonyms:
Benzoic acid,2-[(2-fluorophenyl)thio]-5-nitro-;2-[(2-Fluorophenyl)thio]-5-nitrobenzoic acid;2-[(2-Fluorophenyl)sulfanyl]-5-nitrobenzoic acid
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CAS No:
Characteristics
108.42
4.1065
1.53±0.1 g/cm3
237-238 °C @ Solvent: Ethanol
429.9±45.0 °C(Predicted)
2.48±0.22
Computed Properties
Molecular Weight:293.27
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:293.01580707
Monoisotopic Mass:293.01580707
Topological Polar Surface Area:108
Heavy Atom Count:20
Complexity:376
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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