767288-42-6
4-(2-((2-CHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-((2-CHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
FormulaC22 H15 Br Cl N3 O4
1Identification
【Name】
4-(2-((2-CHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD03894274
【English Synonyms】
【Formula】
C22 H15 Br Cl N3 O4
【MolWeight】
500.734
【Inchi】
InChI=1S/C22H15BrClN3O4/c23-17-6-2-1-5-16(17)22(30)31-15-11-9-14(10-12-15)13-25-27-21(29)20(28)26-19-8-4-3-7-18(19)24/h1-13H,(H,26,28)(H,27,29)/b25-13+
【InChIKey】
InChIKey=KPUIGLDVQXRAGL-DHRITJCHSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)C(=O)Nc3ccccc3Cl)Br
【MOL File】
4-(2-((2-CHLOROANILI….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-((2-CHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml