245035-73-8
ETHYL 1-(4-CHLOROBENZYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE
NameETHYL 1-(4-CHLOROBENZYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE
1Identification
【Name】
ETHYL 1-(4-CHLOROBENZYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD00278587
【English Synonyms】
【Formula】
C14 H15 Cl N2 O2
【MolWeight】
278.737
【Inchi】
InChI=1S/C14H15ClN2O2/c1-3-19-14(18)13-8-10(2)16-17(13)9-11-4-6-12(15)7-5-11/h4-8H,3,9H2,1-2H3
【InChIKey】
InChIKey=ADUCAFRYXBKUHL-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc(nn1Cc2ccc(cc2)Cl)C
【MOL File】
ETHYL 1-(4-CHLOROBEN….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
ETHYL 1-(4-CHLOROBENZYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE.cml