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3-bromo-1H-pyrazolo[3,4-d]pyrimidine

3-bromo-1H-pyrazolo[3,4-d]pyrimidine structure

CAS No:
1251033-27-8
Formula:
C5H3BrN4
Chemical Name:
3-bromo-1H-pyrazolo[3,4-d]pyrimidine
Synonyms:
3-Bromo-1H-pyrazolo[3,4-d]pyrimidine;3-bromo-2H-pyrazolo[3,4-d]pyrimidine;1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-;SCHEMBL5246712;CTK4B4231;KS-00000IGJ;DTXSID20705388;3-bromo-pyrazolo[3,4-d]pyrimidine;ANW-51496;MFCD13193631

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3-bromo-1H-pyrazolo[3,4-d]pyrimidine Basic Attributes

Molecular Weight：

199

Exact Mass：

197.954102

DSSTox ID：

DTXSID20705388

HScode：

2933990090

Characteristics

PSA：

54.5

XLogP3：

1.2

Density：

2.036±0.06 g/cm3(Predicted)

Boiling Point：

373.1±22.0 °C(Predicted)

Flash Point：

179.5±22.3 °C

Refractive Index：

1.767

Computed Properties

Molecular Weight:199.01
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:197.95411
Monoisotopic Mass:197.95411
Topological Polar Surface Area:54.5
Heavy Atom Count:10
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-bromo-1H-pyrazolo[3,4-d]pyrimidine

Basic Attributes
Characteristics
Computed Properties

3-bromo-1H-pyrazolo[3,4-d]pyrimidine

SDS

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