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3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanenitrile

3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanenitrile structure

CAS No:
90953-15-4
Formula:
C8H10N4O2
Chemical Name:
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanenitrile
Synonyms:
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanenitrile;3-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-propionitrile;1H-Pyrazole-1-propanenitrile, 3,5-dimethyl-4-nitro-

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3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanenitrile Basic Attributes

Molecular Weight：

194.19

Exact Mass：

194.08037557

HScode：

2933199090

Characteristics

PSA：

87.43000

XLogP3：

1.84498

Density：

1.30±0.1 g/cm3

Melting Point：

71-72 °C

Boiling Point：

367.1±42.0 °C(Predicted)

PKA：

-1.42±0.10

Computed Properties

Molecular Weight:194.19
XLogP3:0.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:194.08037557
Monoisotopic Mass:194.08037557
Topological Polar Surface Area:87.4
Heavy Atom Count:14
Complexity:266
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanenitrile

Basic Attributes
Characteristics
Computed Properties

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