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7294-50-0 | Boroxin, tris(2-methylphenyl)-
CAS No: 7294-50-0 Catalog No: AG005D1O MDL No:
Product Description
Catalog Number:
AG005D1O
Chemical Name:
Boroxin, tris(2-methylphenyl)-
CAS Number:
7294-50-0
Molecular Formula:
C21H21B3O3
Molecular Weight:
353.8226
IUPAC Name:
2,4,6-tris(2-methylphenyl)-1,3,5,2,4,6-trioxatriborinane
InChI:
InChI=1S/C21H21B3O3/c1-16-10-4-7-13-19(16)22-25-23(20-14-8-5-11-17(20)2)27-24(26-22)21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChI Key:
KQCVRJJUFONPLO-UHFFFAOYSA-N
SMILES:
Cc1ccccc1B1OB(OB(O1)c1ccccc1C)c1ccccc1C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.177g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.826g/mol
Monoisotopic Mass:
354.177g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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