765911-00-0
4-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE
Name4-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE
1Identification
【Name】
4-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153736
【English Synonyms】
【Formula】
C27 H27 Cl N2 O5
【MolWeight】
494.972
【Inchi】
InChI=1S/C27H27ClN2O5/c1-3-5-16-34-23-13-9-20(10-14-23)26(31)30-29-18-19-6-15-24(25(17-19)33-4-2)35-27(32)21-7-11-22(28)12-8-21/h6-15,17-18H,3-5,16H2,1-2H3,(H,30,31)/b29-18+
【InChIKey】
InChIKey=UNINLNQBUTWUSV-RDRPBHBLSA-N
【SMILES】
CCCCOc1ccc(cc1)C(=O)N/N=C/c2ccc(c(c2)OCC)OC(=O)c3ccc(cc3)Cl
【MOL File】
4-(2-(4-BUTOXYBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(4-BUTOXYBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATE.cml