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4-Fluoro-1H-indole-3-acetonitrile

4-Fluoro-1H-indole-3-acetonitrile structure

CAS No:
89434-04-8
Formula:
C10H7FN2
Chemical Name:
4-Fluoro-1H-indole-3-acetonitrile
Synonyms:
1H-Indole-3-acetonitrile,4-fluoro-;4-Fluoro-1H-indole-3-acetonitrile;4-Fluoro-3-indoleacetonitrile;2-(4-Fluoro-1H-indol-3-yl)acetonitrile

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4-Fluoro-1H-indole-3-acetonitrile Basic Attributes

Molecular Weight：

174.17400

Exact Mass：

174.17

DSSTox ID：

DTXSID40542297

Characteristics

PSA：

39.58000

XLogP3：

2.37308

Density：

1.316g/cm3

Melting Point：

83-84 °C @ Solvent: Methanol

Boiling Point：

377.3ºC at 760 mmHg

Flash Point：

182ºC

Refractive Index：

1.645

Computed Properties

Molecular Weight:174.17
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:174.05932639
Monoisotopic Mass:174.05932639
Topological Polar Surface Area:39.6
Heavy Atom Count:13
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Fluoro-1H-indole-3-acetonitrile

Basic Attributes
Characteristics
Computed Properties

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