767320-25-2
4-BROMO-2-(2-(3,4-DICHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
Name4-BROMO-2-(2-(3,4-DICHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
FormulaC22 H15 Br Cl2 N2 O4
1Identification
【Name】
4-BROMO-2-(2-(3,4-DICHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154478
【English Synonyms】
【Formula】
C22 H15 Br Cl2 N2 O4
【MolWeight】
522.18
【Inchi】
InChI=1S/C22H15BrCl2N2O4/c1-30-17-6-2-13(3-7-17)22(29)31-20-9-5-16(23)10-15(20)12-26-27-21(28)14-4-8-18(24)19(25)11-14/h2-12H,1H3,(H,27,28)/b26-12+
【InChIKey】
InChIKey=ICSULUQIAAURRS-RPPGKUMJSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(c(c3)Cl)Cl)Br
【MOL File】
4-BROMO-2-(2-(3,4-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(3,4-DICHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE.cml