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Home > Encyclopedia > Benzoic acid, 3-(trifluoroacetyl)- (9CI)

Benzoic acid, 3-(trifluoroacetyl)- (9CI)

Benzoic acid, 3-(trifluoroacetyl)- (9CI) structure

Benzoic acid, 3-(trifluoroacetyl)- (9CI) 

structure
  • CAS No:

    213598-05-1

  • Formula:

    C9H5F3O3

  • Chemical Name:

    Benzoic acid, 3-(trifluoroacetyl)- (9CI)

  • Synonyms:

    3-(2,2,2-trifluoroacetyl)benzoic acid;3-(Trifluoroacetyl)benzoic acid;3-(TRIFLUOROACETYL)-BENZOIC ACID;Benzoic acid, 3-(trifluoroacetyl)- (9CI);CHEMBL582901;SCHEMBL6295066;DTXSID40626748;KS-00000T5Q;ZINC39055764;DS-8984

Benzoic acid, 3-(trifluoroacetyl)- (9CI) Basic Attributes

218.1294096

218.019

DTXSID40626748

Characteristics

54.4

2.7

1.455±0.06 g/cm3(Predicted)

94-95 °C

Computed Properties

Molecular Weight:218.13
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:218.01907850
Monoisotopic Mass:218.01907850
Topological Polar Surface Area:54.4
Heavy Atom Count:15
Complexity:272
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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