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1-[[(2R,4S)-2-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

1-[[(2R,4S)-2-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole structure

CAS No:
98519-43-8
Formula:
C16H16ClN3O3
Chemical Name:
1-[[(2R,4S)-2-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Synonyms:
1H-1,2,4-Triazole,1-((2-(5-chloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-,trans; trans-2-(5-Chloro-benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-ethyl-1,3-dioxolan; trans-1-((2-(5-Chloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole;

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1-[[(2R,4S)-2-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole Basic Attributes

Molecular Weight：

333.77000

Exact Mass：

333.0880191

DSSTox ID：

DTXSID70243624

Characteristics

PSA：

62.31000

XLogP3：

3.35610

Density：

1.45g/cm3

Boiling Point：

501ºC

Flash Point：

256.8ºC

Refractive Index：

1.664

Computed Properties

Molecular Weight:333.77
XLogP3:2.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:333.0880191
Monoisotopic Mass:333.0880191
Topological Polar Surface Area:62.3
Heavy Atom Count:23
Complexity:429
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[[(2R,4S)-2-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

Basic Attributes
Characteristics
Computed Properties

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