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6-oxo-6-[4-(trifluoromethyl)phenyl]hexanenitrile

6-oxo-6-[4-(trifluoromethyl)phenyl]hexanenitrile structure

CAS No:
61718-88-5
Formula:
C13H12F3NO
Chemical Name:
6-oxo-6-[4-(trifluoromethyl)phenyl]hexanenitrile
Synonyms:
6-OXO-6-(4-TRIFLUOROMETHYLPHENYL)HEXANENITRILE; 5-cyano-4'-trifluoromethylvalerophenone;

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6-oxo-6-[4-(trifluoromethyl)phenyl]hexanenitrile Basic Attributes

Molecular Weight：

255.23600

Exact Mass：

255.08709849

DSSTox ID：

DTXSID80605996

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

3.97208

Density：

1.193g/cm3

Boiling Point：

380.1ºC at 760 mmHg

Flash Point：

183.7ºC

Refractive Index：

1.47

Computed Properties

Molecular Weight:255.23
XLogP3:2.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:255.08709849
Monoisotopic Mass:255.08709849
Topological Polar Surface Area:40.9
Heavy Atom Count:18
Complexity:321
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-oxo-6-[4-(trifluoromethyl)phenyl]hexanenitrile

Basic Attributes
Characteristics
Computed Properties

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