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2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile

2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile structure

CAS No:
110964-35-7
Formula:
C14H13ClN2O4
Chemical Name:
2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile
Synonyms:
Pentanenitrile, 2-[(4-chloro-2-nitrophenyl)hydroxymethylene]-4,4-dimethyl-3-oxo-;110964-35-7;DTXSID0073792;2-cyano-4,4-dimethyl-1-hydroxy-3-oxo-(2-nitro-4-chlorophenyl)-1-pentene;2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile;2-cyano-4,4-dimethyl-1-hydroxy-3-oxo-1-(2-nitro-4-chlorophenyl)-1-pentene

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2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile Basic Attributes

Molecular Weight：

308.71 g/mol

Exact Mass：

308.0563846 g/mol

DSSTox ID：

DTXSID0073792

Characteristics

PSA：

107 Å²

Computed Properties

Molecular Weight:308.71
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:308.0563846
Monoisotopic Mass:308.0563846
Topological Polar Surface Area:107
Heavy Atom Count:21
Complexity:521
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile

Basic Attributes
Characteristics
Computed Properties

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