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3-CHLORO-4-METHOXYBENZENEACETONITRILE

3-CHLORO-4-METHOXYBENZENEACETONITRILE structure

CAS No:
7569-58-6
Formula:
C9H8ClNO
Chemical Name:
3-CHLORO-4-METHOXYBENZENEACETONITRILE
Synonyms:
2-(3-chloro-4-methoxyphenyl)acetonitrile;3-Chloro-4-methoxybenzeneacetonitrile;Benzeneacetonitrile,3-chloro-4-methoxy-;SCHEMBL1465428;CTK5E1888;DTXSID70363578;ZINC1420688;3-chloro-4-methoxy-phenylacetonitrile;AKOS006275700;(3-chloro-4-methoxy-phenyl)-acetonitrile

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3-CHLORO-4-METHOXYBENZENEACETONITRILE Basic Attributes

Molecular Weight：

181.61900

Exact Mass：

181.02900

DSSTox ID：

DTXSID70363578

HScode：

2926909090

Characteristics

PSA：

33.02000

XLogP3：

2.41468

Density：

1.198g/cm3

Boiling Point：

298ºC at 760 mmHg

Flash Point：

134ºC

Refractive Index：

1.536

Computed Properties

Molecular Weight:181.62
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:181.0294416
Monoisotopic Mass:181.0294416
Topological Polar Surface Area:33
Heavy Atom Count:12
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-CHLORO-4-METHOXYBENZENEACETONITRILE

Basic Attributes
Characteristics
Computed Properties

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