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1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile

1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile structure

CAS No:
372941-48-5
Formula:
C15H8FNO2
Chemical Name:
1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile
Synonyms:
1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile;Des[3-(Dimethylamino)propyl] 3-Oxocitalopram;5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-3-oxo-

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1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile Basic Attributes

Molecular Weight：

253.23

Exact Mass：

253.05390666

DSSTox ID：

DTXSID90596048

Characteristics

PSA：

50.09000

XLogP3：

2.95718

Density：

1.38±0.1 g/cm3

Melting Point：

173-175?C

Boiling Point：

433.9±45.0 °C(Predicted)

Flash Point：

216.227ºC

Refractive Index：

1.634

1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile Use and Manufacturing

An intermediate for the preparation of Citalopram

Computed Properties

Molecular Weight:253.23
XLogP3:2.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:253.05390666
Monoisotopic Mass:253.05390666
Topological Polar Surface Area:50.1
Heavy Atom Count:19
Complexity:408
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: soda ash na2co3; 2-bromobutane; n2o4 lewis structure; hydrogenated castor oil; nitrogen formula; mno2

Guide of 1-(4-Fluorophenyl)-1,3-dihydro-3-oxo-5-isobenzofurancarbonitrile

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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