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2-(benzenesulfonylmethyl)-1-methyl-5-nitroimidazole

2-(benzenesulfonylmethyl)-1-methyl-5-nitroimidazole structure

CAS No:
116248-39-6
Formula:
C11H11N3O4S
Chemical Name:
2-(benzenesulfonylmethyl)-1-methyl-5-nitroimidazole
Synonyms:
1-methyl-2-phenylsulfonylmethyl-5-nitroimidazole;

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2-(benzenesulfonylmethyl)-1-methyl-5-nitroimidazole Basic Attributes

Molecular Weight：

281.28800

Exact Mass：

281.04702701 g/mol

DSSTox ID：

DTXSID60151325

Characteristics

PSA：

106.16000

XLogP3：

2.90620

Density：

1.45g/cm3

Boiling Point：

564.3ºC at 760 mmHg

Flash Point：

295.1ºC

Refractive Index：

1.649

Vapor Pressure：

3.56E-12mmHg at 25°C

Computed Properties

Molecular Weight:281.29
XLogP3:1.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:281.04702701
Monoisotopic Mass:281.04702701
Topological Polar Surface Area:106
Heavy Atom Count:19
Complexity:422
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(benzenesulfonylmethyl)-1-methyl-5-nitroimidazole

Basic Attributes
Characteristics
Computed Properties

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