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5-(Trifluoromethyl)-2-benzothiazoleacetonitrile

5-(Trifluoromethyl)-2-benzothiazoleacetonitrile structure

CAS No:
112146-11-9
Formula:
C10H5F3N2S
Chemical Name:
5-(Trifluoromethyl)-2-benzothiazoleacetonitrile
Synonyms:
2-Benzothiazoleacetonitrile,5-(trifluoromethyl)-;5-(Trifluoromethyl)-2-benzothiazoleacetonitrile;NSC 699713;5-Trifluoromethyl-2-benzothiazoleacetonitrile;2-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile

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5-(Trifluoromethyl)-2-benzothiazoleacetonitrile Basic Attributes

Molecular Weight：

242.22 g/mol

Exact Mass：

242.22

NSC Number：

699713

Characteristics

PSA：

64.9 Å²

XLogP3：

3.38118

Computed Properties

Molecular Weight:242.22
XLogP3:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:242.01255383
Monoisotopic Mass:242.01255383
Topological Polar Surface Area:64.9
Heavy Atom Count:16
Complexity:309
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(Trifluoromethyl)-2-benzothiazoleacetonitrile

Basic Attributes
Characteristics
Computed Properties

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