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2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzonitrile

2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzonitrile structure

CAS No:
910037-17-1
Formula:
C12H8F3N3
Chemical Name:
2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzonitrile
Synonyms:
Benzonitrile,2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-;2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzonitrile

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2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzonitrile Basic Attributes

Molecular Weight：

251.21

Exact Mass：

251.21

DSSTox ID：

DTXSID80640367

Characteristics

Density：

1.29±0.1 g/cm3

Melting Point：

101-103

Boiling Point：

372.8±42.0 °C(Predicted)

PKA：

-1.52±0.10

Computed Properties

Molecular Weight:251.21
XLogP3:2.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:251.06703175
Monoisotopic Mass:251.06703175
Topological Polar Surface Area:41.6
Heavy Atom Count:18
Complexity:346
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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