767339-05-9
4-BR-2-(2-((4-ISOPROPYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BR-2-(2-((4-ISOPROPYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-((4-ISOPROPYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05153278
【English Synonyms】
【Formula】
C28 H29 Br N2 O5
【MolWeight】
553.45
【Inchi】
InChI=1S/C28H29BrN2O5/c1-4-15-34-24-12-7-21(8-13-24)28(33)36-26-14-9-23(29)16-22(26)17-30-31-27(32)18-35-25-10-5-20(6-11-25)19(2)3/h5-14,16-17,19H,4,15,18H2,1-3H3,(H,31,32)/b30-17+
【InChIKey】
InChIKey=IDBWONXGTBGBPR-OCSSWDANSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)COc3ccc(cc3)C(C)C)Br
【MOL File】
4-BR-2-(2-((4-ISOPRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((4-ISOPROPYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml