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2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile

2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile structure

CAS No:
67302-16-3
Formula:
C9H6N2O4
Chemical Name:
2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile

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2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile Basic Attributes

Molecular Weight：

206.15500

Exact Mass：

206.03275668 g/mol

NSC Number：

105302

DSSTox ID：

DTXSID70295744

Characteristics

PSA：

88.07000

XLogP3：

1.91278

Density：

1.486g/cm3

Boiling Point：

377.6ºC

Flash Point：

182.2ºC

Refractive Index：

1.615

Computed Properties

Molecular Weight:206.15
XLogP3:1.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:206.03275668
Monoisotopic Mass:206.03275668
Topological Polar Surface Area:88.1
Heavy Atom Count:15
Complexity:305
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(6-nitro-1,3-benzodioxol-5-yl)acetonitrile

Basic Attributes
Characteristics
Computed Properties

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