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Home > Boronic Acids > 114216-57-8
114216-57-8 | Boroxin, tris(3-methylphenoxy)- (9CI)
CAS No: 114216-57-8 Catalog No: AG000ATP MDL No:
Product Description
Catalog Number:
AG000ATP
Chemical Name:
Boroxin, tris(3-methylphenoxy)- (9CI)
CAS Number:
114216-57-8
Molecular Formula:
C21H21B3O6
Molecular Weight:
401.8208
IUPAC Name:
2,4,6-tris(3-methylphenoxy)-1,3,5,2,4,6-trioxatriborinane
InChI:
InChI=1S/C21H21B3O6/c1-16-7-4-10-19(13-16)25-22-28-23(26-20-11-5-8-17(2)14-20)30-24(29-22)27-21-12-6-9-18(3)15-21/h4-15H,1-3H3
InChI Key:
RSTMMCOWNHYIBP-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)OB1OB(OB(O1)Oc1cccc(c1)C)Oc1cccc(c1)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.162g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.823g/mol
Monoisotopic Mass:
402.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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