765309-16-8
3-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name3-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
1Identification
【Name】
3-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05154375
【English Synonyms】
【Formula】
C20 H13 Cl2 N3 O3
【MolWeight】
414.247
【Inchi】
InChI=1S/C20H13Cl2N3O3/c21-15-6-7-17(18(22)10-15)20(27)28-16-5-1-3-13(9-16)11-24-25-19(26)14-4-2-8-23-12-14/h1-12H,(H,25,26)/b24-11+
【InChIKey】
InChIKey=VAEGDAWOONIPOV-BHGWPJFGSA-N
【SMILES】
c1cc(cc(c1)OC(=O)c2ccc(cc2Cl)Cl)/C=N/NC(=O)c3cccnc3
【MOL File】
3-(2-(3-PYRIDINYLCAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-(3-PYRIDINYLCARBONYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml