6349
  -OEChem-05052415472D

  6  3  0     0  0  0  0  0  0999 V2000
    4.2690    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  CHG  3   1  -1   2   2   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
6349

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
4.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAAAAECAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;carbanide;bromide

> <PUBCHEM_IUPAC_CAS_NAME>
magnesium;carbanide;bromide

> <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;carbanide;bromide

> <PUBCHEM_IUPAC_NAME>
magnesium;carbanide;bromide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;carbanide;bromide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;carbanide;bromide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH3.BrH.Mg/h1H3;1H;/q-1;;+2/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
NXPHGHWWQRMDIA-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
117.92685

> <PUBCHEM_MOLECULAR_FORMULA>
CH3BrMg

> <PUBCHEM_MOLECULAR_WEIGHT>
119.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
[CH3-].[Mg+2].[Br-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[CH3-].[Mg+2].[Br-]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
117.92685

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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  7
2  3  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$