58657894
  -OEChem-04172420412D

  8  6  0     1  0  0  0  0  0999 V2000
    2.0000   -0.6645    0.0000 Rf  0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.7015    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1645    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1645    0.0000 C   0  5  3  0  0  0  0  0  0  0  0  0
    3.7320    0.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -0.7015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.8104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.8104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  CHG  1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
58657894

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
11.6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGABAAAABQACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2-dibromoethane;rutherfordium

> <PUBCHEM_IUPAC_CAS_NAME>
1,2-dibromoethane;rutherfordium

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2-dibromoethane;rutherfordium

> <PUBCHEM_IUPAC_NAME>
1,2-dibromoethane;rutherfordium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2-bis(bromanyl)ethane;rutherfordium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2-dibromoethane;rutherfordium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H3Br2.Rf/c3-1-2-4;/h1H,2H2;/q-1;

> <PUBCHEM_IUPAC_INCHIKEY>
XWGAZKYMBFLICN-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
453.980

> <PUBCHEM_MOLECULAR_FORMULA>
C2H3Br2Rf-

> <PUBCHEM_MOLECULAR_WEIGHT>
453.97

> <PUBCHEM_OPENEYE_CAN_SMILES>
C([CH-]Br)Br.[Rf]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([CH-]Br)Br.[Rf]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
451.982

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  4  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$