83044-89-7
OCTYL 3-[3-(5-CHLORO-2H-BENZOTRIAZOL-2-YL)-4-HYDROXY-5-(2-METHYL-2-PROPANYL)PHENYL]PROPANOATE
NameOCTYL 3-[3-(5-CHLORO-2H-BENZOTRIAZOL-2-YL)-4-HYDROXY-5-(2-METHYL-2-PROPANYL)PHENYL]PROPANOATE
1Identification
【Name】
OCTYL 3-[3-(5-CHLORO-2H-BENZOTRIAZOL-2-YL)-4-HYDROXY-5-(2-METHYL-2-PROPANYL)PHENYL]PROPANOATE
【CAS】
【MDL】
MFCD23142897
【English Synonyms】
【Formula】
C27 H36 Cl N3 O3
【MolWeight】
486.052
【Inchi】
InChI=1S/C27H36ClN3O3/c1-5-6-7-8-9-10-15-34-25(32)14-11-19-16-21(27(2,3)4)26(33)24(17-19)31-29-22-13-12-20(28)18-23(22)30-31/h12-13,16-18,33H,5-11,14-15H2,1-4H3
【InChIKey】
InChIKey=DMFXLIFZVRXRRR-UHFFFAOYSA-N
【SMILES】
CCCCCCCCOC(=O)CCc1cc(c(c(c1)n2nc3ccc(cc3n2)Cl)O)C(C)(C)C
【MOL File】
OCTYL 3-[3-(5-CHLORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
OCTYL 3-[3-(5-CHLORO-2H-BENZOTRIAZOL-2-YL)-4-HYDROXY-5-(2-METHYL-2-PROPANYL)PHENYL]PROPANOATE.cml