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SMI-4a

SMI-4a structure

CAS No:
327033-36-3
Formula:
C11H6F3NO2S
Chemical Name:
SMI-4a
Synonyms:
5-[[3-(Trifluoromethyl)phenyl]methylene]-2,4-thiazolidinedione;SMI-4a ≥95%(NMR);CS-627;SMI-4q;SMI-4a5-[[3-(Trifluoromethyl)phenyl]methylene]-2,4-thiazolidinedione;2,4-Thiazolidinedione, 5-[[3-(trifluoromethyl)phenyl]methylene]-

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SMI-4a Basic Attributes

Molecular Weight：

273.23

Exact Mass：

273.00713409

EC Number：

200-258-5

Characteristics

Melting Point：

181-183℃ (methanol )

Safety Information

hazard class code：

36-43

safety instructions：

26-36/37

Computed Properties

Molecular Weight:273.23
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:273.00713409
Monoisotopic Mass:273.00713409
Topological Polar Surface Area:71.5
Heavy Atom Count:18
Complexity:406
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of SMI-4a

Basic Attributes
Characteristics
Safety Information
Computed Properties

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