Basic information
- CAS
42282-79-1- Standard SMILES
[Br-].[Ca+2].[c-]1ccccc1- InChIKey
XMYOTXWMRTWDNF-UHFFFAOYSA-M- Molecular formula
- C6H5BrCa
- Average molar mass
- 197.09 g/mol
- Monoisotopic mass
- 195.92005
Names & identifiers
- Preferred name
- Calcium, bromophenyl-
- IUPAC
- calcium;benzene;bromide
Names & synonyms
Calcium, bromophenyl-42282-79-1DTXSID80483498Calcium bromide benzenide (1/1/1)
Database identifiers
- CAS
42282-79-1- PubChem CID
- 85437281
- DTXSID
DTXSID80483498
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 91.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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