765309-40-8
4-BR-2-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BR-2-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC23 H17 Br Cl N3 O6
1Identification
【Name】
4-BR-2-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153831
【English Synonyms】
【Formula】
C23 H17 Br Cl N3 O6
【MolWeight】
546.759
【Inchi】
InChI=1S/C23H17BrClN3O6/c1-14(33-18-9-7-17(8-10-18)28(31)32)22(29)27-26-13-15-12-16(24)6-11-21(15)34-23(30)19-4-2-3-5-20(19)25/h2-14H,1H3,(H,27,29)/b26-13+
【InChIKey】
InChIKey=GFIMWYQLYGVLST-LGJNPRDNSA-N
【SMILES】
CC(C(=O)N/N=C/c1cc(ccc1OC(=O)c2ccccc2Cl)Br)Oc3ccc(cc3)[N+](=O)[O-]
【MOL File】
4-BR-2-(2-(2-(4-NITR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml