74413
  -OEChem-05132408532D

 10  7  0     0  0  0  0  0  0999 V2000
    2.0000   -0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  CHG  3   1  -1   2   2   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
74413

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
14.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAAAAAECAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAAAAAAAAACAACBCAAAAAAAAAAAIAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;prop-1-ene;bromide

> <PUBCHEM_IUPAC_CAS_NAME>
magnesium;1-propene;bromide

> <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;prop-1-ene;bromide

> <PUBCHEM_IUPAC_NAME>
magnesium;prop-1-ene;bromide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;prop-1-ene;bromide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;prop-1-ene;bromide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q-1;;+2/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
DQEUYIQDSMINEY-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
143.94250

> <PUBCHEM_MOLECULAR_FORMULA>
C3H5BrMg

> <PUBCHEM_MOLECULAR_WEIGHT>
145.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
[CH2-]C=C.[Mg+2].[Br-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[CH2-]C=C.[Mg+2].[Br-]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
143.94250

> <PUBCHEM_TOTAL_CHARGE>
0

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_NONSTANDARDBOND>
1  2  6
2  3  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$