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Home > Encyclopedia > [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-4-nitrobenzoate

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-4-nitrobenzoate

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-4-nitrobenzoate structure

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-4-nitrobenzoate 

structure
  • CAS No:

    387341-51-7

  • Formula:

    C17H13ClN2O7

  • Chemical Name:

    [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-4-nitrobenzoate

  • Synonyms:

    ZINC3317421;AKOS033615893;MCULE-7180916738;AB00714699-01;Z18394633;{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 2-chloro-4-nitrobenzoate;387341-51-7

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-4-nitrobenzoate Basic Attributes

392.7 g/mol

392.0411285 g/mol

Characteristics

120 Ų

Computed Properties

Molecular Weight:392.7
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:392.0411285
Monoisotopic Mass:392.0411285
Topological Polar Surface Area:120
Heavy Atom Count:27
Complexity:570
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-4-nitrobenzoate

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