6522-67-4
2-METHOXYETHYL N-[5-(ACETYLAMINO)-4-[(2-BROMO-4,6-DINITROPHENYL)AZO]-2-METHOXYPHENYL]-ALANINATE
Name2-METHOXYETHYL N-[5-(ACETYLAMINO)-4-[(2-BROMO-4,6-DINITROPHENYL)AZO]-2-METHOXYPHENYL]-ALANINATE
1Identification
【Name】
2-METHOXYETHYL N-[5-(ACETYLAMINO)-4-[(2-BROMO-4,6-DINITROPHENYL)AZO]-2-METHOXYPHENYL]-ALANINATE
【CAS】
【MDL】
MFCD23160440
【English Synonyms】
【Formula】
C21 H23 Br N6 O9
【MolWeight】
583.35
【Inchi】
InChI=1S/C21H23BrN6O9/c1-12(29)24-15-10-17(23-5-4-20(30)37-7-6-35-2)19(36-3)11-16(15)25-26-21-14(22)8-13(27(31)32)9-18(21)28(33)34/h8-11,23H,4-7H2,1-3H3,(H,24,29)/b26-25+
【InChIKey】
InChIKey=ASPNMPVSOMVHRA-OCEACIFDSA-N
【SMILES】
CC(=O)Nc1cc(c(cc1/N=N/c2c(cc(cc2Br)[N+](=O)[O-])[N+](=O)[O-])OC)NCCC(=O)OCCOC
【MOL File】
2-METHOXYETHYL N-[5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:15
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHOXYETHYL N-[5-(ACETYLAMINO)-4-[(2-BROMO-4,6-DINITROPHENYL)AZO]-2-METHOXYPHENYL]-ALANINATE.cml