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CAS Number: 374926-12-2
3-(4-chloronaphthalen-1-yl)-3-oxopropanenitrile

Structure

3-(4-chloronaphthalen-1-yl)-3-oxopropanenitrile
Name: 3-(4-chloronaphthalen-1-yl)-3-oxopropanenitrile
Synonyms:
General Information
Product Number: 374926122

CAS Registry Number 374926-12-2
Name:
1-?Naphthalenepropaneni?trile, 4-?chloro-?β-?oxo-

 

Chemical Formula: C13H8ClNO
Exact Mass: 229.03
Molecular Weight: 229.66
m/z: 229.03 (100.0%), 231.03 (32.2%), 230.03 (14.5%), 232.03 (4.5%)

 

InChI:InChI=1S/C13H8ClNO/c14-12-6-5-11(13(16)7-8-15)9-3-1-2-4-10(9)12/h1-6H,7H2

InChI Key:UZJZOCCJBUJHPF-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CC=C2Cl)C(=O)CC#N

Specification

98%

References

U.S. Pat. Appl. Publ. (2001), US 20010047008 A1 20011129.                                  

Journal of Medicinal Chemistry (2003), 46(5), 794-809. 

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