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3-nitro-4-(1-piperidinyl)-benzonitrile

3-nitro-4-(1-piperidinyl)-benzonitrile structure

CAS No:
32117-03-6
Formula:
C12H13N3O2
Chemical Name:
3-nitro-4-(1-piperidinyl)-benzonitrile
Synonyms:
3-nitro-4-(1-piperidinyl)-benzonitrile;Benzonitrile, 3-nitro-4-(1-piperidinyl)-

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3-nitro-4-(1-piperidinyl)-benzonitrile Basic Attributes

Molecular Weight：

231.25

Exact Mass：

231.100776666

Characteristics

Density：

1.27±0.1 g/cm3

Melting Point：

110-111 °C

Boiling Point：

402.0±40.0 °C(Predicted)

PKA：

0.05±0.40

Computed Properties

Molecular Weight:231.25
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:231.100776666
Monoisotopic Mass:231.100776666
Topological Polar Surface Area:72.8
Heavy Atom Count:17
Complexity:324
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-nitro-4-(1-piperidinyl)-benzonitrile

Basic Attributes
Characteristics
Computed Properties

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