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

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

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

CAS No:
77952-81-9
Formula:
C13H11ClN4O2S
Chemical Name:
2-[3-[(4-chlorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetonitrile
Synonyms:
ACETONITRILE, ((1-(p-CHLOROBENZYL)-2-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)-;((1-(p-Chlorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl)thio)acetonitrile;77952-81-9;BRN 5133810;[[1-(p-Chlorobenzyl)-2-methyl-4-nitro-1H-imidazol-5-yl]thio]acetonitrile;Oprea1_252528;DTXSID60228622

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

Molecular Weight：

322.77 g/mol

Exact Mass：

322.0291245 g/mol

DSSTox ID：

DTXSID60228622

Characteristics

PSA：

113 Å²

Computed Properties

Molecular Weight:322.77
XLogP3:3.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:322.0291245
Monoisotopic Mass:322.0291245
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-chlorophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetonitrile

Basic Attributes
Characteristics
Computed Properties

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