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4-Nitro-1-(phenylmethyl)-1H-imidazole-5-carboxaldehyde

4-Nitro-1-(phenylmethyl)-1H-imidazole-5-carboxaldehyde structure

CAS No:
154927-05-6
Formula:
C11H9N3O3
Chemical Name:
4-Nitro-1-(phenylmethyl)-1H-imidazole-5-carboxaldehyde
Synonyms:
1H-Imidazole-5-carboxaldehyde,4-nitro-1-(phenylmethyl)-;4-Nitro-1-(phenylmethyl)-1H-imidazole-5-carboxaldehyde

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4-Nitro-1-(phenylmethyl)-1H-imidazole-5-carboxaldehyde Basic Attributes

Molecular Weight：

231.20700

Exact Mass：

231.21

DSSTox ID：

DTXSID90450136

Characteristics

PSA：

80.71000

XLogP3：

2.17530

Density：

1.35g/cm3

Melting Point：

116.4 °C @ Solvent: Isopropanol

Boiling Point：

475.2ºC

Flash Point：

241.2ºC

Computed Properties

Molecular Weight:231.21
XLogP3:1.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:231.06439116
Monoisotopic Mass:231.06439116
Topological Polar Surface Area:80.7
Heavy Atom Count:17
Complexity:286
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Nitro-1-(phenylmethyl)-1H-imidazole-5-carboxaldehyde

Basic Attributes
Characteristics
Computed Properties

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