11461654
  -OEChem-05221318262D

 32 33  0     0  0  0  0  0  0999 V2000
    3.4511   -3.2694    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6420    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9511    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9021    2.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9511    3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4511   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5850   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3171   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5850   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3171   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4511   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4511    0.7306    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    5.0937    1.9888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4918    2.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7105    3.1681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5711    3.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9511    3.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3311    3.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916    3.1681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    2.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    1.9888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5711    3.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    3.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3311    3.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0481   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0481   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  2  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11461654

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
244

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceJwMAAAAgAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABAAAoGgAgAAAADESCkAAyAIAAAACAACBCAAACAAAgAAAIiAAAAIgJICKAERCAIAAggAAIiAcAAAAIgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

> <PUBCHEM_IUPAC_NAME>
2-(4-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H16BIO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
ACCWXFPZHMACEN-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
330.028808

> <PUBCHEM_MOLECULAR_FORMULA>
C12H16BIO2

> <PUBCHEM_MOLECULAR_WEIGHT>
329.96971

> <PUBCHEM_OPENEYE_CAN_SMILES>
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)I

> <PUBCHEM_OPENEYE_ISO_SMILES>
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)I

> <PUBCHEM_CACTVS_TPSA>
18.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
330.028808

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  12  8
11  13  8
12  14  8
13  15  8
14  15  8

$$$$