765289-31-4
4-BR-2-(2-(((1-BR-2-NAPHTHYL)OXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
Name4-BR-2-(2-(((1-BR-2-NAPHTHYL)OXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-(((1-BR-2-NAPHTHYL)OXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
【CAS】
【MDL】
MFCD06200058
【English Synonyms】
【Formula】
C28 H22 Br2 N2 O5
【MolWeight】
626.299
【Inchi】
InChI=1S/C28H22Br2N2O5/c1-2-35-22-11-7-19(8-12-22)28(34)37-24-14-10-21(29)15-20(24)16-31-32-26(33)17-36-25-13-9-18-5-3-4-6-23(18)27(25)30/h3-16H,2,17H2,1H3,(H,32,33)/b31-16+
【InChIKey】
InChIKey=JDUHSWRELNDCMR-WCMJOSRZSA-N
【SMILES】
CCOc1ccc(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)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE.cml