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1-methyl-5-(4-methylphenyl)sulfonyl-4-nitroimidazole

1-methyl-5-(4-methylphenyl)sulfonyl-4-nitroimidazole structure

CAS No:
108375-63-9
Formula:
C11H11N3O4S
Chemical Name:
1-methyl-5-(4-methylphenyl)sulfonyl-4-nitroimidazole
Synonyms:
1-methyl-5-(4'-methylphenyl)sulfonyl-4-nitroimidazole; 1H-Imidazole,1-methyl-5-[(4-methylphenyl)sulfonyl]-4-nitro; 1-methyl-4-nitro-5-(4-methylphenylsulfonyl)-1H-imidazole; 1-Methyl-5-(4-methylphenylsulfonyl)-4-nitro-1H-imidazole;

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1-methyl-5-(4-methylphenyl)sulfonyl-4-nitroimidazole Basic Attributes

Molecular Weight：

281.28800

Exact Mass：

281.04702701

DSSTox ID：

DTXSID40545324

HScode：

2933290090

Characteristics

PSA：

106.16000

XLogP3：

3.07350

Density：

1.46g/cm3

Boiling Point：

558.3ºC

Flash Point：

291.4ºC

Refractive Index：

1.651

Vapor Pressure：

6.34E-12mmHg at 25°C

Computed Properties

Molecular Weight:281.29
XLogP3:1.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:281.04702701
Monoisotopic Mass:281.04702701
Topological Polar Surface Area:106
Heavy Atom Count:19
Complexity:434
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-methyl-5-(4-methylphenyl)sulfonyl-4-nitroimidazole

Basic Attributes
Characteristics
Computed Properties

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