926257-56-9
5-CHLORO-1-(2,6-DICHLOROBENZYL)-3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Name5-CHLORO-1-(2,6-DICHLOROBENZYL)-3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
1Identification
【Name】
5-CHLORO-1-(2,6-DICHLOROBENZYL)-3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD05263149
【English Synonyms】
【Formula】
C12 H9 Cl3 N2 O2
【MolWeight】
319.574
【Inchi】
InChI=1S/C12H9Cl3N2O2/c1-6-10(12(18)19)11(15)17(16-6)5-7-8(13)3-2-4-9(7)14/h2-4H,5H2,1H3,(H,18,19)
【InChIKey】
InChIKey=WAXFXNZSSJFCGG-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n(n1)Cc2c(cccc2Cl)Cl)Cl)C(=O)O
【MOL File】
5-CHLORO-1-(2,6-DICH….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
5-CHLORO-1-(2,6-DICHLOROBENZYL)-3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID.cml