767289-04-3
3-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name3-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
1Identification
【Name】
3-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153896
【English Synonyms】
【Formula】
C23 H18 Cl N3 O6
【MolWeight】
467.863
【Inchi】
InChI=1S/C23H18ClN3O6/c1-15(32-20-11-9-19(10-12-20)27(30)31)22(28)26-25-14-16-3-2-4-21(13-16)33-23(29)17-5-7-18(24)8-6-17/h2-15H,1H3,(H,26,28)/b25-14+
【InChIKey】
InChIKey=AAGVMZPRDNQZCH-AFUMVMLFSA-N
【SMILES】
CC(C(=O)N/N=C/c1cccc(c1)OC(=O)c2ccc(cc2)Cl)Oc3ccc(cc3)[N+](=O)[O-]
【MOL File】
3-(2-(2-(4-NITROPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml