Basic information
- CAS
64693-24-9- Standard SMILES
O=C1C(Br)=CC(=NBr)C=C1Br- InChIKey
UJHGNSOCECCORW-UHFFFAOYSA-N- Molecular formula
- C6H2Br3NO
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 340.76865
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 4-bromoimino-2,6-dibromo-
- IUPAC
- 2,6-dibromo-4-bromoiminocyclohexa-2,5-dien-1-one
- English name
- 4-Bromoimino-2,6-dibromo-2,5-cyclohexadien-1-one
- Molecular formula
- C6H2Br3NO
- Molecular weight
- 343.8
Names & synonyms
2,5-Cyclohexadien-1-one, 4-bromoimino-2,6-dibromo-RefChem:10600502,6-dibromo-4-(bromoimino)cyclohexa-2,5-dien-1-one4-Bromo-2,6-dibromo-2,5-cyclohexadiene-1-oneBRN 25769952,6-dibromo-4-bromoiminocyclohexa-2,5-dien-1-oneNSC239644CHEMBL32769322, 4-bromoimino-2,6-dibromo-DTXSID70983331WLN: L6V DYJ BE DUNE FE2, 2,6-dibromo-4-(bromoimino)-
Show more names
Reaxys ID: 25769954-Bromoimino-2,6-dibromo-2,5-cyclohexadien-1-one2,5-Cyclohexadien-1-one, 2,6-dibromo-4-(bromoimino)-
4-Bromo-2,5-cyclohexadiene-1-oneNSC 239644NSC-239644N-(3,5-Dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)hypobromous amide
Database identifiers
- CAS
64693-24-9- PubChem CID
- 99541
- DTXSID
DTXSID70983331- ChEMBL
CHEMBL3276932- Nikkaji
- J75.331I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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