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Home > Boronic Acids > 220210-17-3
220210-17-3 | Boroxin, tris(3-nitrophenyl)-
CAS No: 220210-17-3 Catalog No: AG0070ZY MDL No:
Product Description
Catalog Number:
AG0070ZY
Chemical Name:
Boroxin, tris(3-nitrophenyl)-
CAS Number:
220210-17-3
Molecular Formula:
C18H12B3N3O9
Molecular Weight:
446.7356
IUPAC Name:
2,4,6-tris(3-nitrophenyl)-1,3,5,2,4,6-trioxatriborinane
InChI:
InChI=1S/C18H12B3N3O9/c25-22(26)16-7-1-4-13(10-16)19-31-20(14-5-2-8-17(11-14)23(27)28)33-21(32-19)15-6-3-9-18(12-15)24(29)30/h1-12H
InChI Key:
CAMJLJORSAUJBC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)B1OB(OB(O1)c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.085g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.736g/mol
Monoisotopic Mass:
447.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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