769150-65-4
4-BR-2-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BR-2-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
1Identification
【Name】
4-BR-2-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153936
【English Synonyms】
【Formula】
C24 H20 Br N3 O7
【MolWeight】
542.34
【Inchi】
InChI=1S/C24H20BrN3O7/c1-15(34-21-10-6-19(7-11-21)28(31)32)23(29)27-26-14-17-13-18(25)5-12-22(17)35-24(30)16-3-8-20(33-2)9-4-16/h3-15H,1-2H3,(H,27,29)/b26-14+
【InChIKey】
InChIKey=HPNUSNQVYKOUGT-VULFUBBASA-N
【SMILES】
CC(C(=O)N/N=C/c1cc(ccc1OC(=O)c2ccc(cc2)OC)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:10
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml