Basic information
- CAS
7672-04-0- Standard SMILES
O=c1[nH]c(=C(Br)c2ccccc2)c(=O)[nH]c1=C(Br)c1ccccc1- InChIKey
REDQKCUWGNLMGV-UHFFFAOYSA-N- Molecular formula
- C18H12Br2N2O2
- Average molar mass
- 448.1 g/mol
- Monoisotopic mass
- 445.92655
Names & identifiers
- Preferred name
- 3,6-Bis[bromo(phenyl)methylidene]piperazine-2,5-dione
- IUPAC
- 3,6-bis[bromo(phenyl)methylidene]piperazine-2,5-dione
Names & synonyms
3,6-Bis(bromophenylmethylene)-2,5-piperazinedione3,6-bis[bromo(phenyl)methylidene]piperazine-2,5-dioneDTXSID5012340797672-04-0
Database identifiers
- CAS
7672-04-0- PubChem CID
- 3755877
- DTXSID
DTXSID501234079
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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