68254-10-4
1-(4-CHLOROPHENYL)-6-METHYL-4-OXO-1,4-DIHYDROPYRIDAZINE-3-CARBOXYLIC ACID
Name1-(4-CHLOROPHENYL)-6-METHYL-4-OXO-1,4-DIHYDROPYRIDAZINE-3-CARBOXYLIC ACID
1Identification
【Name】
1-(4-CHLOROPHENYL)-6-METHYL-4-OXO-1,4-DIHYDROPYRIDAZINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00833911
【English Synonyms】
【Formula】
C12 H9 Cl N2 O3
【MolWeight】
264.667
【Inchi】
InChI=1S/C12H9ClN2O3/c1-7-6-10(16)11(12(17)18)14-15(7)9-4-2-8(13)3-5-9/h2-6H,1H3,(H,17,18)
【InChIKey】
InChIKey=JDEKUYKSOCTBJT-UHFFFAOYSA-N
【SMILES】
Cc1cc(=O)c(nn1c2ccc(cc2)Cl)C(=O)O
【MOL File】
1-(4-CHLOROPHENYL)-6….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-CHLOROPHENYL)-6-METHYL-4-OXO-1,4-DIHYDROPYRIDAZINE-3-CARBOXYLIC ACID.cml