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CAS Number: 792912-10-8
methyl 2-chloro-5-ethynylbenzoate

Structure

methyl 2-chloro-5-ethynylbenzoate
Name: methyl 2-chloro-5-ethynylbenzoate
Synonyms:
General Information
Product Number: 792912108

CAS Registry Number 792912-10-8
Name:
Benzoic acid, 2-​chloro-​5-​ethynyl-​, methyl ester
Methyl 2-chloro-5-ethynylbenzoate

 

Chemical Formula: C10H7ClO2
Exact Mass: 194.01
Molecular Weight: 194.61
m/z: 194.01 (100.0%), 196.01 (32.0%), 195.02 (11.0%), 197.01 (3.5%)

 

InChI:InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)

InChI Key:WLHQHAUOOXYABV-UHFFFAOYSA-N

Canonical SMILES:CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3

Specification

98%

References

PCT Int. Appl. (2013), WO 2013072825 A1 20130523.

PCT Int. Appl. (2012), WO 2012175474 A1 20121227.

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