4397-91-5
NICOFURATE
Name
NICOFURATE
Formula
C35 H28 N4 O11
MolWeight
680.623
1Identification
【Name】
NICOFURATE
【CAS】
【MDL】
MFCD00868282
【English Synonyms】
【Formula】
C35 H28 N4 O11
【MolWeight】
680.623
【Inchi】
InChI=1S/C35H28N4O11/c1-21-26(35(44)45-2)15-27(47-21)29(49-33(42)24-9-5-13-38-18-24)30(50-34(43)25-10-6-14-39-19-25)28(48-32(41)23-8-4-12-37-17-23)20-46-31(40)22-7-3-11-36-16-22/h3-19,28-30H,20H2,1-2H3
【InChIKey】
InChIKey=BNYZXONJFQJYPC-UHFFFAOYSA-N
【SMILES】
Cc1c(cc(o1)C(C(C(COC(=O)c2cccnc2)OC(=O)c3cccnc3)OC(=O)c4cccnc4)OC(=O)c5cccnc5)C(=O)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:15
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
NICOFURATE.cml
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