765276-59-3
4-BROMO-2-(2-((4-NITROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name4-BROMO-2-(2-((4-NITROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
FormulaC22 H15 Br Cl N3 O6
1Identification
【Name】
4-BROMO-2-(2-((4-NITROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD06200148
【English Synonyms】
【Formula】
C22 H15 Br Cl N3 O6
【MolWeight】
532.732
【Inchi】
InChI=1S/C22H15BrClN3O6/c23-15-5-10-20(33-22(29)18-3-1-2-4-19(18)24)14(11-15)12-25-26-21(28)13-32-17-8-6-16(7-9-17)27(30)31/h1-12H,13H2,(H,26,28)/b25-12+
【InChIKey】
InChIKey=BNPCMAFSJJCXCZ-BRJLIKDPSA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)COc3ccc(cc3)[N+](=O)[O-])Br)Cl
【MOL File】
4-BROMO-2-(2-((4-NIT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-((4-NITROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml