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331001-62-8
IQ-1
Name
IQ-1
Formula
C21 H22 N4 O2
MolWeight
362.431
1Identification
【Name】
IQ-1
【CAS】
【MDL】
MFCD00354369
【English Synonyms】
【Formula】
C21 H22 N4 O2
【MolWeight】
362.431
【Inchi】
InChI=1S/C21H22N4O2/c1-13(26)14-8-10-16(11-9-14)24-25-19(20(22)27)18-17-7-5-4-6-15(17)12-21(2,3)23-18/h4-11,23H,12H2,1-3H3,(H2,22,27)/b19-18+,25-24+
【InChIKey】
InChIKey=ZXSRRUROLCGTBS-KEYVSXKFSA-N
【SMILES】
CC(=O)c1ccc(cc1)/N=N/C(=C/2\c3ccccc3CC(N2)(C)C)/C(=O)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
IQ-1.cml
Quick Release
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