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5-oxo-5-[4-(trifluoromethyl)phenyl]pentanenitrile

5-oxo-5-[4-(trifluoromethyl)phenyl]pentanenitrile structure

CAS No:
61718-86-3
Formula:
C12H10F3NO
Chemical Name:
5-oxo-5-[4-(trifluoromethyl)phenyl]pentanenitrile
Synonyms:
5-OXO-5-(4-TRIFLUOROMETHYLPHENYL)VALERONITRILE;

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5-oxo-5-[4-(trifluoromethyl)phenyl]pentanenitrile Basic Attributes

Molecular Weight：

241.20900

Exact Mass：

241.07144843

DSSTox ID：

DTXSID40605997

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

3.58198

Density：

1.222g/cm3

Boiling Point：

361ºC at 760 mmHg

Flash Point：

172.1ºC

Refractive Index：

1.47

Computed Properties

Molecular Weight:241.21
XLogP3:2.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:241.07144843
Monoisotopic Mass:241.07144843
Topological Polar Surface Area:40.9
Heavy Atom Count:17
Complexity:307
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-oxo-5-[4-(trifluoromethyl)phenyl]pentanenitrile

Basic Attributes
Characteristics
Computed Properties

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