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Cyano temozolomide

Cyano temozolomide structure

CAS No:
114601-31-9
Formula:
C6H4N6O
Chemical Name:
Cyano temozolomide
Synonyms:
Temozolomide Cyano Impurity;8-Descarboxamido-8-cyano Temozolomide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Cyano temozolomide Basic Attributes

Molecular Weight：

176.13556

Exact Mass：

176.04500

Characteristics

PSA：

86.6

XLogP3：

-0.2

Density：

1.74±0.1 g/cm3(Predicted)

Melting Point：

48-50ºC

Boiling Point：

415.3±37.0 °C(Predicted)

Flash Point：

204.958ºC

Computed Properties

Molecular Weight:176.14
XLogP3:-0.2
Hydrogen Bond Acceptor Count:5
Exact Mass:176.04465877
Monoisotopic Mass:176.04465877
Topological Polar Surface Area:86.6
Heavy Atom Count:13
Complexity:316
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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