765913-14-2
4-(2-(((3-BROMOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-(((3-BROMOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
1Identification
【Name】
4-(2-(((3-BROMOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD05154531
【English Synonyms】
【Formula】
C23 H17 Br2 N3 O4
【MolWeight】
559.212
【Inchi】
InChI=1S/C23H17Br2N3O4/c24-17-5-3-4-16(12-17)22(30)26-14-21(29)28-27-13-15-8-10-18(11-9-15)32-23(31)19-6-1-2-7-20(19)25/h1-13H,14H2,(H,26,30)(H,28,29)/b27-13+
【InChIKey】
InChIKey=FMTIZBUSVORHJU-UVHMKAGCSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)CNC(=O)c3cccc(c3)Br)Br
【MOL File】
4-(2-(((3-BROMOBENZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(((3-BROMOBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml