769142-28-1
4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3,4-DICHLOROBENZOATE
Name4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3,4-DICHLOROBENZOATE
FormulaC22 H15 Br Cl2 N2 O4
1Identification
【Name】
4-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05721124
【English Synonyms】
【Formula】
C22 H15 Br Cl2 N2 O4
【MolWeight】
522.18
【Inchi】
InChI=1S/C22H15BrCl2N2O4/c1-30-20-10-13(12-26-27-21(28)14-3-6-16(23)7-4-14)2-9-19(20)31-22(29)15-5-8-17(24)18(25)11-15/h2-12H,1H3,(H,27,28)/b26-12+
【InChIKey】
InChIKey=IZXLUPKMBOUMFZ-RPPGKUMJSA-N
【SMILES】
COc1cc(ccc1OC(=O)c2ccc(c(c2)Cl)Cl)/C=N/NC(=O)c3ccc(cc3)Br
【MOL File】
4-(2-(4-BROMOBENZOYL….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-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3,4-DICHLOROBENZOATE.cml