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Home > Encyclopedia > 3-Carboxy-4-fluorophenylisothiocyanate

3-Carboxy-4-fluorophenylisothiocyanate

3-Carboxy-4-fluorophenylisothiocyanate structure

3-Carboxy-4-fluorophenylisothiocyanate 

structure
  • CAS No:

    1027513-02-5

  • Formula:

    C8H4FNO2S

  • Chemical Name:

    3-Carboxy-4-fluorophenylisothiocyanate

  • Synonyms:

    3-Carboxy-4-fluorophenylisothiocyanate;DTXSID00653434;ZINC31829463;2-fluoro-5-isothiocyanatobenzoic acid;AKOS006326288;FS-5864

3-Carboxy-4-fluorophenylisothiocyanate Basic Attributes

197.1862632

196.995

DTXSID00653434

Characteristics

81.8

2.9

Computed Properties

Molecular Weight:197.19
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:196.99467771
Monoisotopic Mass:196.99467771
Topological Polar Surface Area:81.8
Heavy Atom Count:13
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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