851468-07-0
((5-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-4-CYCLOHEXYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID
Name((5-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-4-CYCLOHEXYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID
FormulaC18 H22 Cl N3 O3 S
1Identification
【Name】
((5-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-4-CYCLOHEXYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID
【CAS】
【MDL】
MFCD06382013
【English Synonyms】
【Formula】
C18 H22 Cl N3 O3 S
【MolWeight】
395.909
【Inchi】
InChI=1S/C18H22ClN3O3S/c1-12-9-13(19)7-8-15(12)25-10-16-20-21-18(26-11-17(23)24)22(16)14-5-3-2-4-6-14/h7-9,14H,2-6,10-11H2,1H3,(H,23,24)
【InChIKey】
InChIKey=VDTZLNJJWRETCX-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1OCc2nnc(n2C3CCCCC3)SCC(=O)O)Cl
【MOL File】
((5-[(4-CHLORO-2-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
((5-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-4-CYCLOHEXYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID.cml