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CAS Number: 50840-02-3
ethyl 2-chloro-4-methylnicotinate

Structure

ethyl 2-chloro-4-methylnicotinate
Name: ethyl 2-chloro-4-methylnicotinate
Synonyms:
General Information
Product Number: 50840023
CAS Registry Number: 50840-02-3
Name:
3-​Pyridinecarboxylic acid, 2-​chloro-​4-​methyl-​, ethyl ester
2-​Chloro-​4-​methylnicotinic acid ethyl ester 
 
Chemical Formula: C9H10ClNO2
Exact Mass: 199.04
Molecular Weight: 199.63
m/z: 199.04 (100.0%), 201.04 (32.4%), 200.04 (10.2%), 202.04 (3.2%)
Elemental Analysis: C, 54.15; H, 5.05; Cl, 17.76; N, 7.02; O, 16.03
 
InChI: InChI=1S/C9H10ClNO2/c1-3-13-9(12)7-6(2)4-5-11-8(7)10/h4-5H,3H2,1-2H3
InChIKey: ZCCWUIFQBCQSAS-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(C=CN=C1Cl)C

Specification

98%

References

PCT Int. Appl. (2014), WO 2014099697 A1 20140626.

PCT Int. Appl. (2013), WO 2013014587 A1 20130131. 

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