Mrv0541 02241217562D          

 17 18  0  0  0  0            999 V2000
   -1.2376    0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0622    0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -0.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0622   -1.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2376   -1.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8253   -0.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007   -0.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8239   -0.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2361   -1.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622   -1.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4745   -0.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622    0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2361    0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8239    1.0712    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8253    1.0712    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.2991   -0.3566    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2991   -0.3566    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB016629

> <DATABASE_NAME>
foodb

> <SMILES>
BrC1=CC=C(OC2=CC=C(Br)C=C2Br)C(Br)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H

> <INCHI_KEY>
XYBSIYMGXVUVGY-UHFFFAOYSA-N

> <FORMULA>
C12H6Br4O

> <MOLECULAR_WEIGHT>
485.791

> <EXACT_MASS>
481.715215402

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
32.03758066988883

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,4-dibromo-1-(2,4-dibromophenoxy)benzene

> <ALOGPS_LOGP>
6.37

> <JCHEM_LOGP>
6.5485435003333325

> <ALOGPS_LOGS>
-6.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-9.087832657574749

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
82.79000000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.70e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,4-dibromo-1-(2,4-dibromophenoxy)benzene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB016629

> <GENERIC_NAME>
1,1'-Oxybis[2,4-dibromobenzene]

$$$$