209732-48-9
2-CHLORO-4-(3-CYANOPHENYL)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER
Name2-CHLORO-4-(3-CYANOPHENYL)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
2-CHLORO-4-(3-CYANOPHENYL)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD11220900
【English Synonyms】
【Formula】
C13 H9 Cl N2 O2 S
【MolWeight】
292.745
【Inchi】
InChI=1S/C13H9ClN2O2S/c1-2-18-12(17)11-10(16-13(14)19-11)9-5-3-4-8(6-9)7-15/h3-6H,2H2,1H3
【InChIKey】
InChIKey=ILRSWEHBGSLLGU-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(nc(s1)Cl)c2cccc(c2)C#N
【MOL File】
2-CHLORO-4-(3-CYANOP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-4-(3-CYANOPHENYL)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER.cml