769152-94-5
4-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
Name4-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
1Identification
【Name】
4-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05153483
【English Synonyms】
【Formula】
C29 H23 Cl N2 O4
【MolWeight】
498.964
【Inchi】
InChI=1S/C29H23ClN2O4/c1-20-5-4-6-23(17-20)29(34)36-25-15-11-21(12-16-25)18-31-32-28(33)26-7-2-3-8-27(26)35-19-22-9-13-24(30)14-10-22/h2-18H,19H2,1H3,(H,32,33)/b31-18+
【InChIKey】
InChIKey=NVBUUKYDOCRRCA-FDAWAROLSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)c3ccccc3OCc4ccc(cc4)Cl
【MOL File】
4-(2-(2-((4-CHLOROBE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(2-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE.cml