769148-85-8
3-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name3-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
3-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154115
【English Synonyms】
【Formula】
C29 H23 Cl N2 O5
【MolWeight】
514.963
【Inchi】
InChI=1S/C29H23ClN2O5/c1-35-24-15-11-22(12-16-24)29(34)37-25-6-4-5-21(17-25)18-31-32-28(33)26-7-2-3-8-27(26)36-19-20-9-13-23(30)14-10-20/h2-18H,19H2,1H3,(H,32,33)/b31-18+
【InChIKey】
InChIKey=XZMJDFSIJLFYHB-FDAWAROLSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2cccc(c2)/C=N/NC(=O)c3ccccc3OCc4ccc(cc4)Cl
【MOL File】
3-(2-(2-((4-CHLOROBE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml