765278-18-0
4-(2-(4-PROPOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(4-PROPOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-(4-PROPOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05720553
【English Synonyms】
【Formula】
C24 H21 Br N2 O4
【MolWeight】
481.344
【Inchi】
InChI=1S/C24H21BrN2O4/c1-2-15-30-19-13-9-18(10-14-19)23(28)27-26-16-17-7-11-20(12-8-17)31-24(29)21-5-3-4-6-22(21)25/h3-14,16H,2,15H2,1H3,(H,27,28)/b26-16+
【InChIKey】
InChIKey=BBTIYIKEFBFHQY-WGOQTCKBSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)N/N=C/c2ccc(cc2)OC(=O)c3ccccc3Br
【MOL File】
4-(2-(4-PROPOXYBENZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(4-PROPOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml