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3-CYANO-6-METHYL(1H)INDAZOLE

3-CYANO-6-METHYL(1H)INDAZOLE structure

CAS No:
858227-54-0
Formula:
C9H7N3
Chemical Name:
3-CYANO-6-METHYL(1H)INDAZOLE
Synonyms:
3-CYANO-6-METHYL (1H)INDAZOLE;6-METHYL-3-INDAZOLECARBONITRILE;6-methyl-1H-indazole-3-carbonitrile;1H-Indazole-3-carbonitrile, 6-methyl-

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3-CYANO-6-METHYL(1H)INDAZOLE Basic Attributes

Molecular Weight：

157.17

Exact Mass：

157.063997236

Characteristics

PSA：

52.47000

XLogP3：

1.74298

Density：

1.27±0.1 g/cm3

Melting Point：

164.5 °C(Solv: water (7732-18-5); ethanol (64-17-5))

Boiling Point：

376.8±22.0 °C(Predicted)

PKA：

11.34±0.40

Computed Properties

Molecular Weight:157.17
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:157.063997236
Monoisotopic Mass:157.063997236
Topological Polar Surface Area:52.5
Heavy Atom Count:12
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-CYANO-6-METHYL(1H)INDAZOLE

Basic Attributes
Characteristics
Computed Properties

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