767320-53-6
4-BROMO-2-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name4-BROMO-2-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC20 H13 Br Cl N3 O3
1Identification
【Name】
4-BROMO-2-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154449
【English Synonyms】
【Formula】
C20 H13 Br Cl N3 O3
【MolWeight】
458.698
【Inchi】
InChI=1S/C20H13BrClN3O3/c21-16-5-8-18(28-20(27)13-3-6-17(22)7-4-13)15(10-16)12-24-25-19(26)14-2-1-9-23-11-14/h1-12H,(H,25,26)/b24-12+
【InChIKey】
InChIKey=BVAFQONGGHVCHS-WYMPLXKRSA-N
【SMILES】
c1cc(cnc1)C(=O)N/N=C/c2cc(ccc2OC(=O)c3ccc(cc3)Cl)Br
【MOL File】
4-BROMO-2-(2-(3-PYRI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml