769154-00-9
2-MEO-4-(2-((1-NAPHTHOYLAMINO)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name2-MEO-4-(2-((1-NAPHTHOYLAMINO)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
1Identification
【Name】
2-MEO-4-(2-((1-NAPHTHOYLAMINO)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05153362
【English Synonyms】
【Formula】
C28 H21 Cl2 N3 O5
【MolWeight】
550.396
【Inchi】
InChI=1S/C28H21Cl2N3O5/c1-37-25-13-17(9-12-24(25)38-28(36)22-11-10-19(29)14-23(22)30)15-32-33-26(34)16-31-27(35)21-8-4-6-18-5-2-3-7-20(18)21/h2-15H,16H2,1H3,(H,31,35)(H,33,34)/b32-15+
【InChIKey】
InChIKey=PKRJRRQARBGERM-VWJSQJICSA-N
【SMILES】
COc1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)/C=N/NC(=O)CNC(=O)c3cccc4c3cccc4
【MOL File】
2-MEO-4-(2-((1-NAPHT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-MEO-4-(2-((1-NAPHTHOYLAMINO)AC)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml