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Home > Boronic Acids > 13155-00-5
13155-00-5 | Boroxin, 2,4,6-tris(1,1-dimethylethyl)-
CAS No: 13155-00-5 Catalog No: AG000ZF0 MDL No:
Product Description
Catalog Number:
AG000ZF0
Chemical Name:
Boroxin, 2,4,6-tris(1,1-dimethylethyl)-
CAS Number:
13155-00-5
Molecular Formula:
C12H27B3O3
Molecular Weight:
251.7740
IUPAC Name:
2,4,6-tritert-butyl-1,3,5,2,4,6-trioxatriborinane
InChI:
InChI=1S/C12H27B3O3/c1-10(2,3)13-16-14(11(4,5)6)18-15(17-13)12(7,8)9/h1-9H3
InChI Key:
CCTMXYGSJPAZRS-UHFFFAOYSA-N
SMILES:
CC(B1OB(OB(O1)C(C)(C)C)C(C)(C)C)(C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.224g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.775g/mol
Monoisotopic Mass:
252.224g/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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