767332-60-5
3-(2-((4-BROMOANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name3-(2-((4-BROMOANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
FormulaC22 H14 Br Cl2 N3 O4
1Identification
【Name】
3-(2-((4-BROMOANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD06199647
【English Synonyms】
【Formula】
C22 H14 Br Cl2 N3 O4
【MolWeight】
535.18
【Inchi】
InChI=1S/C22H14BrCl2N3O4/c23-14-4-7-16(8-5-14)27-20(29)21(30)28-26-12-13-2-1-3-17(10-13)32-22(31)18-9-6-15(24)11-19(18)25/h1-12H,(H,27,29)(H,28,30)/b26-12+
【InChIKey】
InChIKey=HPFGTXMLFKESKS-RPPGKUMJSA-N
【SMILES】
c1cc(cc(c1)OC(=O)c2ccc(cc2Cl)Cl)/C=N/NC(=O)C(=O)Nc3ccc(cc3)Br
【MOL File】
3-(2-((4-BROMOANILIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-((4-BROMOANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml