[5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-bromobenzoate
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[5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-bromobenzoate
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CAS No:
301236-01-1
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Formula:
C21H18BrNO5S
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Chemical Name:
[5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-bromobenzoate
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Synonyms:
Oprea1_197869;ZINC3218475;AKOS034451200;MCULE-1383696414;Z56761801;5,5-dimethyl-2-[(4-nitrophenyl)sulfanyl]-3-oxocyclohex-1-en-1-yl 2-bromobenzoate;301236-01-1
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CAS No:
[5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-bromobenzoate Basic Attributes
476.3 g/mol
475.00891 g/mol
Computed Properties
Molecular Weight:476.3
XLogP3:5.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:475.00891
Monoisotopic Mass:475.00891
Topological Polar Surface Area:115
Heavy Atom Count:29
Complexity:694
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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