 Home > Encyclopedia > 2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetonitrile

2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetonitrile

2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetonitrile structure

CAS No:
77952-80-8
Formula:
C13H11FN4O2S
Chemical Name:
2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetonitrile

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2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetonitrile Basic Attributes

Molecular Weight：

306.31500

Exact Mass：

306.05867494 g/mol

DSSTox ID：

DTXSID00228621

HScode：

2933290090

Characteristics

PSA：

112.73000

XLogP3：

3.42598

Density：

1.39g/cm3

Boiling Point：

503ºC

Flash Point：

258ºC

Refractive Index：

1.645

Computed Properties

Molecular Weight:306.32
XLogP3:2.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:306.05867494
Monoisotopic Mass:306.05867494
Topological Polar Surface Area:113
Heavy Atom Count:21
Complexity:416
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[3-[(4-fluorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetonitrile

Basic Attributes
Characteristics
Computed Properties

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