Basic information
- CAS
206268-72-6- Standard SMILES
N#Cc1cc(Br)c([N+](=O)[O-])cc1C#N- InChIKey
PZOBMISAMQBXIY-UHFFFAOYSA-N- Molecular formula
- C8H2BrN3O2
- Average molar mass
- 252.02 g/mol
- Monoisotopic mass
- 250.93304
Names & identifiers
- Preferred name
- 4-Bromo-5-nitro-phthalonitrile
- IUPAC
- 4-bromo-5-nitrobenzene-1,2-dicarbonitrile
Names & synonyms
206268-72-64-Bromo-5-nitro-phthalonitrileDTXSID10351111RefChem:290959DTXCID603021784-bromo-5-nitrobenzene-1,2-dicarbonitrile4-Bromo-5-nitrophthalonitrile1,2-Benzenedicarbonitrile, 4-bromo-5-nitro-SCHEMBL12443132PZOBMISAMQBXIY-UHFFFAOYSA-NSTK728258AKOS000737913
Show more names
DA-39845ST0101725-bromo-4-nitrobenzene-1,2-dicarbonitrile[(2-BROMO-4,5-DICYANOPHENYL)(OXO)AMMONIO]OXONIUM
Database identifiers
- CAS
206268-72-6- PubChem CID
- 690963
- DTXSID
DTXSID10351111- EC Number
- 167-240-7
- Nikkaji
- J1.557.505K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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