767308-37-2
4-(2-(3,4-DICHLOROBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
Name4-(2-(3,4-DICHLOROBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
FormulaC22 H15 Br Cl2 N2 O4
1Identification
【Name】
4-(2-(3,4-DICHLOROBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD06199769
【English Synonyms】
【Formula】
C22 H15 Br Cl2 N2 O4
【MolWeight】
522.18
【Inchi】
InChI=1S/C22H15BrCl2N2O4/c1-30-20-9-13(12-26-27-21(28)14-6-7-17(24)18(25)11-14)5-8-19(20)31-22(29)15-3-2-4-16(23)10-15/h2-12H,1H3,(H,27,28)/b26-12+
【InChIKey】
InChIKey=NTDACKASAABETI-RPPGKUMJSA-N
【SMILES】
COc1cc(ccc1OC(=O)c2cccc(c2)Br)/C=N/NC(=O)c3ccc(c(c3)Cl)Cl
【MOL File】
4-(2-(3,4-DICHLOROBE….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-(2-(3,4-DICHLOROBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATE.cml