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3-(3-Fluorophenyl)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone

3-(3-Fluorophenyl)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone structure

CAS No:
178402-36-3
Formula:
C19H17FO4S
Chemical Name:
3-(3-Fluorophenyl)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone
Synonyms:
2(5H)-Furanone,3-(3-fluorophenyl)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-;3-(3-Fluorophenyl)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone;DFU;199799-44-5

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3-(3-Fluorophenyl)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone Basic Attributes

Molecular Weight：

360.4

Exact Mass：

360.40

Characteristics

Density：

1.294±0.06 g/cm3

Boiling Point：

567.9±50.0 °C(Predicted)

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

safety instructions：

Marks：

3-(3-Fluorophenyl)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone Use and Manufacturing

3-(3-Fluorophenyl)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone is a potential cyclooxygenase-1 inhibitor used to treat vascular disease.

Computed Properties

Molecular Weight:360.4
XLogP3:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:360.08315835
Monoisotopic Mass:360.08315835
Topological Polar Surface Area:68.8
Heavy Atom Count:25
Complexity:666
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(3-Fluorophenyl)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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