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2,1-Benzisoxazole-3-acetonitrile(9CI)

2,1-Benzisoxazole-3-acetonitrile(9CI) structure

CAS No:
102908-41-8
Formula:
C9H6N2O
Chemical Name:
2,1-Benzisoxazole-3-acetonitrile(9CI)
Synonyms:
2,1-Benzisoxazole-3-acetonitrile;ACMC-20m5vb;CTK0H2452;DTXSID70721139;(2,1-Benzoxazol-3-yl)acetonitrile;ZINC95931586;2-(Benzo[c]isoxazol-3-yl)acetonitrile

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2,1-Benzisoxazole-3-acetonitrile(9CI) Basic Attributes

Molecular Weight：

158.16

Exact Mass：

158.048

DSSTox ID：

DTXSID70721139

Characteristics

PSA：

49.8

XLogP3：

1.4

Computed Properties

Molecular Weight:158.16
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:158.048012819
Monoisotopic Mass:158.048012819
Topological Polar Surface Area:49.8
Heavy Atom Count:12
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,1-Benzisoxazole-3-acetonitrile(9CI)

Basic Attributes
Characteristics
Computed Properties

2,1-Benzisoxazole-3-acetonitrile(9CI)

SDS

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