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96298-67-8 | Boroxin, tris[(bromomethyl)phenyl]-
CAS No: 96298-67-8 Catalog No: AG006RZY MDL No:
Product Description
Catalog Number:
AG006RZY
Chemical Name:
Boroxin, tris[(bromomethyl)phenyl]-
CAS Number:
96298-67-8
Molecular Formula:
C21H18B3Br3O3
Molecular Weight:
590.5108
IUPAC Name:
2,4,6-tris[2-(bromomethyl)phenyl]-1,3,5,2,4,6-trioxatriborinane
InChI:
InChI=1S/C21H18B3Br3O3/c25-13-16-7-1-4-10-19(16)22-28-23(20-11-5-2-8-17(20)14-26)30-24(29-22)21-12-6-3-9-18(21)15-27/h1-12H,13-15H2
InChI Key:
ZORSEKWALBMBTO-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1B1OB(OB(O1)c1ccccc1CBr)c1ccccc1CBr
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
589.906g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
590.514g/mol
Monoisotopic Mass:
587.909g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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