765287-81-8
4-BR-2-(2-(2-(1-NAPHTHYLOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BR-2-(2-(2-(1-NAPHTHYLOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC27 H20 Br Cl N2 O4
1Identification
【Name】
4-BR-2-(2-(2-(1-NAPHTHYLOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD06200075
【English Synonyms】
【Formula】
C27 H20 Br Cl N2 O4
【MolWeight】
551.822
【Inchi】
InChI=1S/C27H20BrClN2O4/c1-17(34-25-12-6-8-18-7-2-3-9-21(18)25)26(32)31-30-16-19-15-20(28)13-14-24(19)35-27(33)22-10-4-5-11-23(22)29/h2-17H,1H3,(H,31,32)/b30-16+
【InChIKey】
InChIKey=HYLZERIHUYYARS-OKCVXOCRSA-N
【SMILES】
CC(C(=O)N/N=C/c1cc(ccc1OC(=O)c2ccccc2Cl)Br)Oc3cccc4c3cccc4
【MOL File】
4-BR-2-(2-(2-(1-NAPH….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-BR-2-(2-(2-(1-NAPHTHYLOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml