| CAS Number | 102852-91-5 |
| Catalog Number | AG01E62J(AGN-PC-0379CZ) |
| Chemical Name | 1,3,5-Tris(4-nitrophenoxy)benzene |
| IUPAC Name | 1,3,5-tris(4-nitrophenoxy)benzene |
| InChI | InChI=1S/C24H15N3O9/c28-25(29)16-1-7-19(8-2-16)34-22-13-23(35-20-9-3-17(4-10-20)26(30)31)15-24(14-22)36-21-11-5-18(6-12-21)27(32)33/h1-15H |
| InChI Key | DXYUVOVIDRJKFE-UHFFFAOYSA-N |
| MDL Number | MFCD00613483 |
| Molecular Formula | C24H15N3O9 |
| Molecular Weight | 489.3906 |
| SMILES | C1(OC2C=CC([N+]([O-])=O)=CC=2)C=C(OC2C=CC([N+]([O-])=O)=CC=2)C=C(OC2C=CC([N+]([O-])=O)=CC=2)C=1 |
| Synonyms | 1,3,5-Tris(4-nitrophenoxy)benzene,
102852-91-5,
SCHEMBL311582,
DTXSID90611189,
DXYUVOVIDRJKFE-UHFFFAOYSA-N,
1,3,5-tri(4-nitrophenoxy)benzene,
ZINC97956657,
FT-0697198,
1,1',1''-[Benzene-1,3,5-triyltris(oxy)]tris(4-nitrobenzene),
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| Complexity | 632 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 489.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 489.396g/mol |
| Monoisotopic Mass | 489.081g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 165A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number