Mrv0541 09211104272D          

 11 10  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.7621   -0.2773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0913    0.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.4372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8538    0.8245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0060

> <SMILES>
ClCC(Br)CBr

> <INCHI_IDENTIFIER>
InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2

> <INCHI_KEY>
InChIKey=WBEJYOJJBDISQU-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
14.50473241062494

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
233.844653161

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C3H5Br2Cl

> <JCHEM_IUPAC>
1,2-dibromo-3-chloropropane

> <JCHEM_LOGP>
2.5957520706666664

> <JCHEM_MASS>
236.333

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
35.6361

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_TRADITIONAL_IUPAC>
1,2-dibromo-3-chloropropane

$$$$