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Home > Encyclopedia > [5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-bromobenzoate

[5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-bromobenzoate

[5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-bromobenzoate structure

[5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-bromobenzoate 

structure
  • CAS No:

    301236-01-1

  • Formula:

    C21H18BrNO5S

  • Chemical Name:

    [5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-bromobenzoate

  • 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

[5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-bromobenzoate Basic Attributes

476.3 g/mol

475.00891 g/mol

Characteristics

115 Ų

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

Guide of [5,5-dimethyl-2-(4-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-bromobenzoate

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