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1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile

1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile structure

CAS No:
372941-54-3
Formula:
C20H19FN2O2
Chemical Name:
1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile
Synonyms:
5-Isobenzofurancarbonitrile,1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-;1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile;1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-2-benzofuran-5-carbonitrile

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1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile Basic Attributes

Molecular Weight：

338.38

Exact Mass：

338.38

Characteristics

PSA：

53.33000

XLogP3：

3.45318

Density：

1.25±0.1 g/cm3

Melting Point：

49-52°C

Boiling Point：

490.7±45.0 °C(Predicted)

Flash Point：

250.6ºC

Refractive Index：

1.6

PKA：

9.48±0.28

1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile Use and Manufacturing

Citalopram intermediate

Computed Properties

Molecular Weight:338.4
XLogP3:3.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:338.14305602
Monoisotopic Mass:338.14305602
Topological Polar Surface Area:53.3
Heavy Atom Count:25
Complexity:535
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 372941-54-3

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Guide of 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Recommended Suppliers

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