767334-09-8
4-BR-2-(2-(((1-BR-2-NAPHTHYL)OXY)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name4-BR-2-(2-(((1-BR-2-NAPHTHYL)OXY)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-(((1-BR-2-NAPHTHYL)OXY)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD06199586
【English Synonyms】
【Formula】
C29 H24 Br2 N2 O5
【MolWeight】
640.326
【Inchi】
InChI=1S/C29H24Br2N2O5/c1-2-15-36-23-11-7-20(8-12-23)29(35)38-25-14-10-22(30)16-21(25)17-32-33-27(34)18-37-26-13-9-19-5-3-4-6-24(19)28(26)31/h3-14,16-17H,2,15,18H2,1H3,(H,33,34)/b32-17+
【InChIKey】
InChIKey=HMXHGWZRLKMBDN-VTNSRFBWSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)COc3ccc4ccccc4c3Br)Br
【MOL File】
4-BR-2-(2-(((1-BR-2-….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-(((1-BR-2-NAPHTHYL)OXY)AC)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml