Marvin  02070611392D          

  3  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <ID>
CHEBI:31338

> <NAME>
calcium dibromide

> <STAR>
3

> <SYNONYM>
Kalziumbromid; Calcium bromide; CaBr2

> <IUPAC_NAME>
calcium dibromide

> <FORMULA>
Br2Ca

> <MASS>
199.88600

> <MONOISOTOPIC_MASS>
197.79927

> <CHARGE>
0

> <SMILES>
[Ca++].[Br-].[Br-]

> <INCHI>
InChI=1S/2BrH.Ca/h2*1H;/q;;+2/p-2

> <INCHIKEY>
WGEFECGEFUFIQW-UHFFFAOYSA-L

> <CAS_REGISTRY_NUMBER>
7789-41-5

> <CHEMIDPLUS>
7789-41-5

> <KEGG_COMPOUND_ACCESSION>
C13189

> <KEGG_DRUG_ACCESSION>
D01723

> <NIST_CHEMISTRY_WEBBOOK>
7789-41-5

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