765288-26-4
2-(2-((3-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name2-(2-((3-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
1Identification
【Name】
2-(2-((3-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD06200066
【English Synonyms】
【Formula】
C23 H19 Cl N2 O4
【MolWeight】
422.866
【Inchi】
InChI=1S/C23H19ClN2O4/c1-16-5-4-7-20(13-16)29-15-22(27)26-25-14-18-6-2-3-8-21(18)30-23(28)17-9-11-19(24)12-10-17/h2-14H,15H2,1H3,(H,26,27)/b25-14+
【InChIKey】
InChIKey=SLQCXZUPZNEBIX-AFUMVMLFSA-N
【SMILES】
Cc1cccc(c1)OCC(=O)N/N=C/c2ccccc2OC(=O)c3ccc(cc3)Cl
【MOL File】
2-(2-((3-METHYLPHENO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-((3-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml