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Home > Encyclopedia > 3-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxopropanenitrile

3-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxopropanenitrile

3-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxopropanenitrile structure

3-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxopropanenitrile 

structure
  • CAS No:

    267880-84-2

  • Formula:

    C11H8F3NO

  • Chemical Name:

    3-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxopropanenitrile

  • Synonyms:

    3-METHYL-5-(TRIFLUOROMETHYL)BENZOYLACETONITRILE; 3-OXO-3-(3-METHYL-5-TRIFLUOROMETHYLPHENYL)-PROPIONITRILE; Benzenepropanenitrile,3-methyl-b-oxo-5-(trifluoromethyl);

3-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxopropanenitrile Basic Attributes

227.18300

227.05579836

DTXSID30699002

2926909090

Characteristics

40.86000

3.11018

Safety Information

UN 3276

R20/21/22; R36/37/38

S26; S36/37/39

Computed Properties

Molecular Weight:227.18
XLogP3:2.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:227.05579836
Monoisotopic Mass:227.05579836
Topological Polar Surface Area:40.9
Heavy Atom Count:16
Complexity:315
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 3-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxopropanenitrile

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