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3-OXO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE

3-OXO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE structure

CAS No:
71682-94-5
Formula:
C10H6F3NO
Chemical Name:
3-OXO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE
Synonyms:
3-oxo-3-<4-trifluoromethylphenyl>propanenitrile; 4-trifluoromethylbenzoylacetonitrile;

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3-OXO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE Basic Attributes

Molecular Weight：

213.15600

Exact Mass：

213.04014830

DSSTox ID：

DTXSID70441744

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

2.80178

Density：

1.297g/cm3

Melting Point：

43-45ºC

Boiling Point：

316.192ºC at 760 mmHg

Flash Point：

145.028ºC

Refractive Index：

1.469

Safety Information

Marks：

Computed Properties

Molecular Weight:213.16
XLogP3:1.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:213.04014830
Monoisotopic Mass:213.04014830
Topological Polar Surface Area:40.9
Heavy Atom Count:15
Complexity:281
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-OXO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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