260789-24-0
1-(4-CHLOROBENZOYL)-3-(4-METHOXYPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
Name1-(4-CHLOROBENZOYL)-3-(4-METHOXYPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
1Identification
【Name】
1-(4-CHLOROBENZOYL)-3-(4-METHOXYPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
【CAS】
【MDL】
MFCD01764840
【English Synonyms】
【Formula】
C18 H13 Cl N2 O3
【MolWeight】
340.765
【Inchi】
InChI=1S/C18H13ClN2O3/c1-24-16-8-4-12(5-9-16)17-14(11-22)10-21(20-17)18(23)13-2-6-15(19)7-3-13/h2-11H,1H3
【InChIKey】
InChIKey=SQPZAPAPNZVPCJ-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)c2c(cn(n2)C(=O)c3ccc(cc3)Cl)C=O
【MOL File】
1-(4-CHLOROBENZOYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-CHLOROBENZOYL)-3-(4-METHOXYPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE.cml