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Home > Encyclopedia > ethyl isothiocyanato(phenyl)acetate

ethyl isothiocyanato(phenyl)acetate

ethyl isothiocyanato(phenyl)acetate structure

ethyl isothiocyanato(phenyl)acetate 

structure
  • CAS No:

    201139-10-8

  • Formula:

    C11H11NO2S

  • Chemical Name:

    ethyl isothiocyanato(phenyl)acetate

  • Synonyms:

    ethyl isothiocyanato(phenyl)acetate;benzeneacetic acid, alpha-isothiocyanato-, ethyl ester

ethyl isothiocyanato(phenyl)acetate Basic Attributes

221.27554

221.051

Characteristics

70.8

3.7

Safety Information

IRRITANT

Computed Properties

Molecular Weight:221.28
XLogP3:3.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:221.05104977
Monoisotopic Mass:221.05104977
Topological Polar Surface Area:70.8
Heavy Atom Count:15
Complexity:255
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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