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3-Chloro-ε-oxobenzenehexanenitrile

3-Chloro-ε-oxobenzenehexanenitrile structure

CAS No:
898767-70-9
Formula:
C12H12ClNO
Chemical Name:
3-Chloro-ε-oxobenzenehexanenitrile
Synonyms:
Benzenehexanenitrile,3-chloro-ε-oxo-;3-Chloro-ε-oxobenzenehexanenitrile

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3-Chloro-ε-oxobenzenehexanenitrile Basic Attributes

Molecular Weight：

221.68300

Exact Mass：

221.68

DSSTox ID：

DTXSID90642236

Characteristics

PSA：

40.86000

XLogP3：

3.60668

Density：

1.152g/cm3

Boiling Point：

398.9ºC at 760 mmHg

Flash Point：

195.1ºC

Refractive Index：

1.532

Computed Properties

Molecular Weight:221.68
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:221.0607417
Monoisotopic Mass:221.0607417
Topological Polar Surface Area:40.9
Heavy Atom Count:15
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Chloro-ε-oxobenzenehexanenitrile

Basic Attributes
Characteristics
Computed Properties

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