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3-(TERT-BUTYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLICACID

3-(TERT-BUTYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLICACID structure

CAS No:
93045-47-7
Formula:
C14H16N2O2
Chemical Name:
3-(TERT-BUTYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLICACID
Synonyms:
3-(tert-butyl)-1-phenyl-1H-pyrazole-5-carboxylic acid;3-tert-Butyl-1-phenyl-1H-pyrazole-5-carboxylic acid;5-tert-butyl-2-phenylpyrazole-3-carboxylic acid;Oprea1_304192;SCHEMBL1646829;CTK5H2056;DTXSID90346328;ZINC170414;KS-000020XT;3508AF

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3-(TERT-BUTYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLICACID Basic Attributes

Molecular Weight：

244.28900

Exact Mass：

244.12100

DSSTox ID：

DTXSID90346328

HScode：

2933199090

Characteristics

PSA：

55.12000

XLogP3：

2.86800

Density：

1.14g/cm3

Melting Point：

204-206ºC

Boiling Point：

398.4ºC at 760 mmHg

Flash Point：

194.7ºC

Refractive Index：

1.575

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Computed Properties

Molecular Weight:244.29
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:244.121177757
Monoisotopic Mass:244.121177757
Topological Polar Surface Area:55.1
Heavy Atom Count:18
Complexity:305
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(TERT-BUTYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(TERT-BUTYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLICACID

SDS

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