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Isometronidazole

Isometronidazole structure

CAS No:
705-19-1
Formula:
C6H9N3O3
Chemical Name:
Isometronidazole
Synonyms:
1H-Imidazole-1-ethanol,2-methyl-4-nitro-;Imidazole-1-ethanol,2-methyl-4-nitro-;2-Methyl-4-nitro-1H-imidazole-1-ethanol;Isometronidazole;Izoklion;RP 8979;Mizonidazole;SC-16427;1-(2-Hydroxyethyl)-2-methyl-4-nitroimidazole;1-(2-Hydroxyethyl)-2-methyl-4-nitro-1H-imidazole;2-(2-Methyl-4-nitroimidazol-1-yl)ethanol;2-(2-Methyl-4-nitro-imidazol-1-yl)-ethanol
Categories:
Organic Chemistry > Nitro Compounds

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Isometronidazole Basic Attributes

Molecular Weight：

171.15400

Exact Mass：

171.15

UNII：

0WI2PRW4QM

DSSTox ID：

DTXSID00220766

Characteristics

PSA：

83.87000

XLogP3：

0.61520

Density：

1.45 g/cm3

Melting Point：

140 °C

Boiling Point：

405.4ºC at 760 mmHg

Flash Point：

199ºC

Refractive Index：

1.612

Drug Information

MeSH Entry Terms：

1-(2'-hydroxyethyl)-2-methyl-4-nitroimidazole

Computed Properties

Molecular Weight:171.15
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:171.06439116
Monoisotopic Mass:171.06439116
Topological Polar Surface Area:83.9
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes