765273-51-6
4-BR-2-(2-(2-(2-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name4-BR-2-(2-(2-(2-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC23 H17 Br Cl N3 O6
1Identification
【Name】
4-BR-2-(2-(2-(2-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153771
【English Synonyms】
【Formula】
C23 H17 Br Cl N3 O6
【MolWeight】
546.759
【Inchi】
InChI=1S/C23H17BrClN3O6/c1-14(33-21-5-3-2-4-19(21)28(31)32)22(29)27-26-13-16-12-17(24)8-11-20(16)34-23(30)15-6-9-18(25)10-7-15/h2-14H,1H3,(H,27,29)/b26-13+
【InChIKey】
InChIKey=HHCMEVQXMMVMGL-LGJNPRDNSA-N
【SMILES】
CC(C(=O)N/N=C/c1cc(ccc1OC(=O)c2ccc(cc2)Cl)Br)Oc3ccccc3[N+](=O)[O-]
【MOL File】
4-BR-2-(2-(2-(2-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-(2-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml