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MetronidazoleImpurity9

MetronidazoleImpurity9 structure

CAS No:
87009-72-1
Formula:
C13H13N3O4
Chemical Name:
MetronidazoleImpurity9
Synonyms:
Metronidazole Benzoate Impurity;1H-Imidazole-1-ethanol, 2-methyl-4-nitro-, 1-benzoate;Metronidazole Impurity 9;2-(2-Methyl-4-nitro-1H-imidazol-1-y;Metronidazole impurity H (self-edited)

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MetronidazoleImpurity9 Basic Attributes

Molecular Weight：

275.26

Exact Mass：

275.09060590

Characteristics

Density：

1.31±0.1 g/cm3

Melting Point：

137.4 °C

Boiling Point：

487.7±25.0 °C(Predicted)

PKA：

0.92±0.60

Computed Properties

Molecular Weight:275.26
XLogP3:1.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:275.09060590
Monoisotopic Mass:275.09060590
Topological Polar Surface Area:89.9
Heavy Atom Count:20
Complexity:352
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of MetronidazoleImpurity9

Basic Attributes
Characteristics
Computed Properties

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