769149-31-7
4-(2-((3,4-DICHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
Name4-(2-((3,4-DICHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
FormulaC22 H14 Br Cl2 N3 O4
1Identification
【Name】
4-(2-((3,4-DICHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE
【CAS】
【MDL】
MFCD03885878
【English Synonyms】
【Formula】
C22 H14 Br Cl2 N3 O4
【MolWeight】
535.18
【Inchi】
InChI=1S/C22H14BrCl2N3O4/c23-17-4-2-1-3-16(17)22(31)32-15-8-5-13(6-9-15)12-26-28-21(30)20(29)27-14-7-10-18(24)19(25)11-14/h1-12H,(H,27,29)(H,28,30)/b26-12+
【InChIKey】
InChIKey=SNACHOWHBLSIBJ-RPPGKUMJSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)C(=O)Nc3ccc(c(c3)Cl)Cl)Br
【MOL File】
4-(2-((3,4-DICHLOROA….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
4-(2-((3,4-DICHLOROANILINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE.cml