1-Bromo-1,2,4,4-tetrachloro-3-nitrobuta-1,3-diene
Basic information
- CAS
179049-09-3- Standard SMILES
O=[N+]([O-])C(=C(Cl)Cl)C(Cl)=C(Cl)Br- InChIKey
GSJNCTPODOZYHV-UHFFFAOYSA-N- Molecular formula
- C4BrCl4NO2
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 312.78665
Names & identifiers
- Preferred name
- 1-Bromo-1,2,4,4-tetrachloro-3-nitrobuta-1,3-diene
- IUPAC
- 1-bromo-1,2,4,4-tetrachloro-3-nitrobuta-1,3-diene
Names & synonyms
1-bromo-1,2,4,4-tetrachloro-3-nitrobuta-1,3-diene179049-09-3DTXSID20327706RefChem:228233DTXCID90278817SCHEMBL4859433NCI60_0279094-bromo-1,1,3,4-tetrachloro-2-nitro-1,3-butadiene
Database identifiers
- CAS
179049-09-3- PubChem CID
- 386281
- DTXSID
DTXSID20327706
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…