769156-26-5
4-BROMO-2-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC21 H13 Br2 Cl N2 O3
1Identification
【Name】
4-BROMO-2-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154346
【English Synonyms】
【Formula】
C21 H13 Br2 Cl N2 O3
【MolWeight】
536.606
【Inchi】
InChI=1S/C21H13Br2ClN2O3/c22-15-7-5-13(6-8-15)20(27)26-25-12-14-11-16(23)9-10-19(14)29-21(28)17-3-1-2-4-18(17)24/h1-12H,(H,26,27)/b25-12+
【InChIKey】
InChIKey=QTKYLLVDYROGCC-BRJLIKDPSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)c3ccc(cc3)Br)Br)Cl
【MOL File】
4-BROMO-2-(2-(4-BROM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(4-BROMOBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml