765288-14-0
4-(2-(2-(2-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(2-(2-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-(2-(2-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD06200071
【English Synonyms】
【Formula】
C23 H18 Br N3 O6
【MolWeight】
512.314
【Inchi】
InChI=1S/C23H18BrN3O6/c1-15(32-21-9-5-4-8-20(21)27(30)31)22(28)26-25-14-16-10-12-17(13-11-16)33-23(29)18-6-2-3-7-19(18)24/h2-15H,1H3,(H,26,28)/b25-14+
【InChIKey】
InChIKey=CSIAZEBGZOVRAW-AFUMVMLFSA-N
【SMILES】
CC(C(=O)N/N=C/c1ccc(cc1)OC(=O)c2ccccc2Br)Oc3ccccc3[N+](=O)[O-]
【MOL File】
4-(2-(2-(2-NITROPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(2-(2-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml