767312-27-6
4-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
Name4-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
1Identification
【Name】
4-(2-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE
【CAS】
【MDL】
MFCD05720808
【English Synonyms】
【Formula】
C29 H23 Cl N2 O4
【MolWeight】
498.964
【Inchi】
InChI=1S/C29H23ClN2O4/c1-20-4-2-3-5-27(20)29(34)36-26-14-8-21(9-15-26)18-31-32-28(33)23-10-16-25(17-11-23)35-19-22-6-12-24(30)13-7-22/h2-18H,19H2,1H3,(H,32,33)/b31-18+
【InChIKey】
InChIKey=BTECOYKGKMQFMH-FDAWAROLSA-N
【SMILES】
Cc1ccccc1C(=O)Oc2ccc(cc2)/C=N/NC(=O)c3ccc(cc3)OCc4ccc(cc4)Cl
【MOL File】
4-(2-(4-((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-(4-((4-CHLOROBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PHENYL 2-METHYLBENZOATE.cml