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2-Methyl-5-nitro-1H-imidazole-1-acetonitrile

2-Methyl-5-nitro-1H-imidazole-1-acetonitrile structure

CAS No:
1008-49-7
Formula:
C6H6N4O2
Chemical Name:
2-Methyl-5-nitro-1H-imidazole-1-acetonitrile
Synonyms:
Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-;BRN 0612250;1-(Cyanomethyl)-2-methyl-5-nitroimidazole;(2-methyl-5-nitro-imidazol-1-yl)-acetonitrile;Oprea1_370254;DTXSID30143515;ZINC13209718;LS-78343;2-Methyl-5-nitro-1H-imidazole-1-acetonitrile;2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetonitrile

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2-Methyl-5-nitro-1H-imidazole-1-acetonitrile Basic Attributes

Molecular Weight：

166.14

Exact Mass：

166.049

DSSTox ID：

DTXSID30143515

HScode：

2933290090

Characteristics

PSA：

87.4

XLogP3：

0.2

Density：

1.41g/cm3

Boiling Point：

416ºC at 760mmHg

Flash Point：

205.4ºC

Refractive Index：

1.635

Vapor Pressure：

3.94E-07mmHg at 25°C

Computed Properties

Molecular Weight:166.14
XLogP3:0.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:166.04907545
Monoisotopic Mass:166.04907545
Topological Polar Surface Area:87.4
Heavy Atom Count:12
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methyl-5-nitro-1H-imidazole-1-acetonitrile

Basic Attributes
Characteristics
Computed Properties

2-Methyl-5-nitro-1H-imidazole-1-acetonitrile

SDS

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