765310-45-0
3-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name3-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
1Identification
【Name】
3-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153807
【English Synonyms】
【Formula】
C25 H23 Cl N2 O4
【MolWeight】
450.92
【Inchi】
InChI=1S/C25H23ClN2O4/c1-2-3-15-31-22-13-9-19(10-14-22)24(29)28-27-17-18-5-4-6-23(16-18)32-25(30)20-7-11-21(26)12-8-20/h4-14,16-17H,2-3,15H2,1H3,(H,28,29)/b27-17+
【InChIKey】
InChIKey=RBEVLGXEBYIXIZ-WPWMEQJKSA-N
【SMILES】
CCCCOc1ccc(cc1)C(=O)N/N=C/c2cccc(c2)OC(=O)c3ccc(cc3)Cl
【MOL File】
3-(2-(4-BUTOXYBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml