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CAS Number: 1021871-35-1
3-chloro-5-(hydroxymethyl)benzonitrile

Structure

3-chloro-5-(hydroxymethyl)benzonitrile
Name: 3-chloro-5-(hydroxymethyl)benzonitrile
Synonyms:
General Information
Product Number: 1021871351

CAS Registry Number 1021871-35-1
Name:
Benzonitrile, 3-​chloro-​5-​(hydroxymethyl)​-
3-Chloro-5-(hydroxymethyl)benzonitrile
5-Chloro-3-(hydroxymethyl)benzonitrile

 

Chemical Formula: C8H6ClNO
Exact Mass: 167.01
Molecular Weight: 167.59
m/z: 167.01 (100.0%), 169.01 (32.0%), 168.02 (8.8%), 170.01 (2.9%)

 

InChI:InChI=1S/C8H6ClNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,11H,5H2

InChI Key:XNOWXYQLTYKTNC-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1Cl)C#N)CO

Specification

98%

References

PCT Int. Appl. (2014), WO 2014184234 A1 20141120.                                 

PCT Int. Appl. (2014), WO 2014048865 A1 20140403.

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