Basic information
- CAS
64693-23-8- Standard SMILES
O=C1C=CC(=NBr)C=C1- InChIKey
PZZRNAITVRJAKV-UHFFFAOYSA-N- Molecular formula
- C6H4BrNO
- Average molar mass
- 186.01 g/mol
- Monoisotopic mass
- 184.94763
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 4-bromoimino-
- IUPAC
- 4-bromoiminocyclohexa-2,5-dien-1-one
Names & synonyms
2,5-Cyclohexadien-1-one, 4-bromoimino-64693-23-8DTXSID90215020RefChem:1060049DTXCID901375114-Bromoimino-2,5-cyclohexadiene-1-one4-bromoiminocyclohexa-2,5-dien-1-oneBRN 2573429NSC2396432, 4-bromoimino-2, 4-(bromoimino)-WLN: L6V DYJ DUNE
Show more names
CHEMBL3276930NSC 239643NSC-239643N-(4-Oxocyclohexa-2,5-dien-1-ylidene)hypobromous amide
Database identifiers
- CAS
64693-23-8- PubChem CID
- 99540
- DTXSID
DTXSID90215020- ChEMBL
CHEMBL3276930- Nikkaji
- J75.330K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
LogP1.12
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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