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3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE

3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE structure

CAS No:
6631-89-6
Formula:
C13H16N2O
Chemical Name:
3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE
Synonyms:
3-tert-Butyl-1-phenyl-2-pyrazolin-5-one;5-tert-butyl-2-phenyl-4H-pyrazol-3-one;CHEMBL4241417;3-tert-Butyl-1-phenyl-1H-pyrazol-5(4H)-one;3H-Pyrazol-3-one, 5-(1,1-dimethylethyl)-2,4-dihydro-2-phenyl-;3-(tert-butyl)-1-phenyl-2-pyrazolin-5-one;NSC57945;Maybridge1_001591;SCHEMBL7528553;CTK5C4203

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3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE Basic Attributes

Molecular Weight：

216.27900

Exact Mass：

216.12600

NSC Number：

57945

DSSTox ID：

DTXSID30288874

HScode：

2933199090

Characteristics

PSA：

32.67000

XLogP3：

2.32600

Density：

1.07g/cm3

Melting Point：

105-108ºC

Boiling Point：

353.6ºC at 760 mmHg

Flash Point：

167.7ºC

Refractive Index：

1.564

Safety Information

safety instructions：

S22-S24/25

Marks：

Computed Properties

Molecular Weight:216.28
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:216.126263138
Monoisotopic Mass:216.126263138
Topological Polar Surface Area:32.7
Heavy Atom Count:16
Complexity:308
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE

SDS

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