[2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 4-methylbenzoate
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![[2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 4-methylbenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7a2cba92bd3948c0adfea0d2c53121ce.png "[2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 4-methylbenzoate")
[2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 4-methylbenzoate
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CAS No:
305343-38-8
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Formula:
C20H17NO5S
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Chemical Name:
[2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 4-methylbenzoate
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Synonyms:
Oprea1_209358;ZINC3170438;AKOS001011197;MCULE-7303116391;Z56768489;2-[(2-nitrophenyl)sulfanyl]-3-oxocyclohex-1-en-1-yl 4-methylbenzoate;305343-38-8
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CAS No:
[2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 4-methylbenzoate Basic Attributes
383.4 g/mol
383.08274382 g/mol
Computed Properties
Molecular Weight:383.4
XLogP3:4.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:383.08274382
Monoisotopic Mass:383.08274382
Topological Polar Surface Area:115
Heavy Atom Count:27
Complexity:618
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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