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3-NITRO-4-PHENYL-1,2,5-OXADIAZOLE

3-NITRO-4-PHENYL-1,2,5-OXADIAZOLE structure

CAS No:
76016-68-7
Formula:
C8H5N3O3
Chemical Name:
3-NITRO-4-PHENYL-1,2,5-OXADIAZOLE
Synonyms:
3-NITRO-4-PHENYL-1,2,5-OXADIAZOLE;3-nitro-4-phenyl-furazan;1,2,5-Oxadiazole, 3-nitro-4-phenyl-

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3-NITRO-4-PHENYL-1,2,5-OXADIAZOLE Basic Attributes

Molecular Weight：

191.14

Exact Mass：

191.033

Characteristics

PSA：

84.74

XLogP3：

2.168

Density：

1.407±0.06 g/cm3

Melting Point：

41-42 °C(Solv: ligroine (8032-32-4))

Boiling Point：

333.4±34.0 °C(Predicted)

PKA：

-6.39±0.30

Computed Properties

Molecular Weight:191.14
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:191.03309103
Monoisotopic Mass:191.03309103
Topological Polar Surface Area:84.7
Heavy Atom Count:14
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-NITRO-4-PHENYL-1,2,5-OXADIAZOLE

Basic Attributes
Characteristics
Computed Properties

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