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3-(3-iodophenyl)-3-oxopropanenitrile

3-(3-iodophenyl)-3-oxopropanenitrile structure

CAS No:
247206-80-0
Formula:
C9H6INO
Chemical Name:
3-(3-iodophenyl)-3-oxopropanenitrile
Synonyms:
2-(3-Iodobenzoyl)acetonitrile; 3-iodobenzoylacetonitrile;

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3-(3-iodophenyl)-3-oxopropanenitrile Basic Attributes

Molecular Weight：

271.05500

Exact Mass：

270.94941

DSSTox ID：

DTXSID10469624

Characteristics

PSA：

40.86000

XLogP3：

2.38758

Density：

1.772g/cm3

Boiling Point：

391.2ºC

Flash Point：

190.4ºC

Refractive Index：

1.62

Vapor Pressure：

2.51E-06mmHg at 25°C

Computed Properties

Molecular Weight:271.05
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:270.94941
Monoisotopic Mass:270.94941
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(3-iodophenyl)-3-oxopropanenitrile

Basic Attributes
Characteristics
Computed Properties

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