769149-94-2
4-BROMO-2-(2-((1-NAPHTHOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name4-BROMO-2-(2-((1-NAPHTHOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
FormulaC27 H19 Br Cl N3 O4
1Identification
【Name】
4-BROMO-2-(2-((1-NAPHTHOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05154015
【English Synonyms】
【Formula】
C27 H19 Br Cl N3 O4
【MolWeight】
564.821
【Inchi】
InChI=1S/C27H19BrClN3O4/c28-20-10-13-24(36-27(35)18-8-11-21(29)12-9-18)19(14-20)15-31-32-25(33)16-30-26(34)23-7-3-5-17-4-1-2-6-22(17)23/h1-15H,16H2,(H,30,34)(H,32,33)/b31-15+
【InChIKey】
InChIKey=AYMLONIDKSYNNF-IBBHUPRXSA-N
【SMILES】
c1ccc2c(c1)cccc2C(=O)NCC(=O)N/N=C/c3cc(ccc3OC(=O)c4ccc(cc4)Cl)Br
【MOL File】
4-BROMO-2-(2-((1-NAP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((1-NAPHTHOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml