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Home > Encyclopedia > Benzoic acid, 2-isothiocyanato-5-nitro- (9CI)

Benzoic acid, 2-isothiocyanato-5-nitro- (9CI)

Benzoic acid, 2-isothiocyanato-5-nitro- (9CI) structure

Benzoic acid, 2-isothiocyanato-5-nitro- (9CI) 

structure
  • CAS No:

    392312-73-1

  • Formula:

    C8H4N2O4S

  • Chemical Name:

    Benzoic acid, 2-isothiocyanato-5-nitro- (9CI)

  • Synonyms:

    2-isothiocyanato-5-nitrobenzoic acid;CTK8I5630;ZINC16385737;AKOS024375427;MCULE-9444981249;ST51016121

Benzoic acid, 2-isothiocyanato-5-nitro- (9CI) Basic Attributes

224.19336

223.989

Characteristics

128

2.8

Computed Properties

Molecular Weight:224.20
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:223.98917779
Monoisotopic Mass:223.98917779
Topological Polar Surface Area:128
Heavy Atom Count:15
Complexity:321
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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