74476-62-3
2-CHLORO-4-(4-NITROPHENYL)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER
Name2-CHLORO-4-(4-NITROPHENYL)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
2-CHLORO-4-(4-NITROPHENYL)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD11220899
【English Synonyms】
【Formula】
C12 H9 Cl N2 O4 S
【MolWeight】
312.732
【Inchi】
InChI=1S/C12H9ClN2O4S/c1-2-19-11(16)10-9(14-12(13)20-10)7-3-5-8(6-4-7)15(17)18/h3-6H,2H2,1H3
【InChIKey】
InChIKey=KBKQEDVPXYTXHB-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(nc(s1)Cl)c2ccc(cc2)[N+](=O)[O-]
【MOL File】
2-CHLORO-4-(4-NITROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-4-(4-NITROPHENYL)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER.cml