26502-56-7
1-(4-CHLORO-PHENYL)-4-HYDROXY-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
Name1-(4-CHLORO-PHENYL)-4-HYDROXY-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
1-(4-CHLORO-PHENYL)-4-HYDROXY-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD02361221
【English Synonyms】
【Formula】
C12 H11 Cl N2 O3
【MolWeight】
266.683
【Inchi】
InChI=1S/C12H11ClN2O3/c1-2-18-12(17)11-10(16)7-15(14-11)9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3
【InChIKey】
InChIKey=JVDIBUHUFFFVFX-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(cn(n1)c2ccc(cc2)Cl)O
【MOL File】
1-(4-CHLORO-PHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-CHLORO-PHENYL)-4-HYDROXY-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER.cml