115592-30-8
1-(4-CHLORO-PHENYL)-5-CYANO-4-METHYL-6-OXO-1,6-DIHYDRO-PYRIDAZINE-3-CARBOXYLIC ACID ETHYL ESTER
Name1-(4-CHLORO-PHENYL)-5-CYANO-4-METHYL-6-OXO-1,6-DIHYDRO-PYRIDAZINE-3-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
1-(4-CHLORO-PHENYL)-5-CYANO-4-METHYL-6-OXO-1,6-DIHYDRO-PYRIDAZINE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD01105233
【English Synonyms】
【Formula】
C15 H12 Cl N3 O3
【MolWeight】
317.731
【Inchi】
InChI=1S/C15H12ClN3O3/c1-3-22-15(21)13-9(2)12(8-17)14(20)19(18-13)11-6-4-10(16)5-7-11/h4-7H,3H2,1-2H3
【InChIKey】
InChIKey=GQSXRXPDXGQJJN-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c(c(=O)n(n1)c2ccc(cc2)Cl)C#N)C
【MOL File】
1-(4-CHLORO-PHENYL)-….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
1-(4-CHLORO-PHENYL)-5-CYANO-4-METHYL-6-OXO-1,6-DIHYDRO-PYRIDAZINE-3-CARBOXYLIC ACID ETHYL ESTER.cml