78874-29-0
3-(2,4-DICHLOROPHENYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
Name3-(2,4-DICHLOROPHENYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
3-(2,4-DICHLOROPHENYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD05150689
【English Synonyms】
【Formula】
C16 H10 Cl2 N2 O2
【MolWeight】
333.173
【Inchi】
InChI=1S/C16H10Cl2N2O2/c17-10-6-7-12(13(18)8-10)14-9-15(16(21)22)20(19-14)11-4-2-1-3-5-11/h1-9H,(H,21,22)
【InChIKey】
InChIKey=GWBLAHGDKRFPEE-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(cc(n2)c3ccc(cc3Cl)Cl)C(=O)O
【MOL File】
3-(2,4-DICHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2,4-DICHLOROPHENYL)-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID.cml