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5-Bromobenzo[b]thiophene-3-acetonitrile

5-Bromobenzo[b]thiophene-3-acetonitrile structure

CAS No:
23799-61-3
Formula:
C10H6BrNS
Chemical Name:
5-Bromobenzo[b]thiophene-3-acetonitrile
Synonyms:
Benzo[b]thiophene-3-acetonitrile,5-bromo-;5-Bromobenzo[b]thiophene-3-acetonitrile;(5-Bromobenzothien-3-yl)acetonitrile;2-(5-Bromo-1-benzothiophen-3-yl)acetonitrile

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5-Bromobenzo[b]thiophene-3-acetonitrile Basic Attributes

Molecular Weight：

252.13034

Exact Mass：

252.13

DSSTox ID：

DTXSID00590193

HScode：

2934999090

Characteristics

PSA：

XLogP3：

3.72988

Density：

1.622 g/cm3

Boiling Point：

394.2ºC at 760 mmHg

Flash Point：

192.2ºC

Computed Properties

Molecular Weight:252.13
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:250.94043
Monoisotopic Mass:250.94043
Topological Polar Surface Area:52
Heavy Atom Count:13
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Bromobenzo[b]thiophene-3-acetonitrile

Basic Attributes
Characteristics
Computed Properties

5-Bromobenzo[b]thiophene-3-acetonitrile

SDS

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