2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene
Basic information
- CAS
31191-47-6- Standard SMILES
O=[N+]([O-])c1ccc(Cl)c(OCCCCBr)c1- InChIKey
RQGRGVSKRHJJON-UHFFFAOYSA-N- Molecular formula
- C10H11BrClNO3
- Average molar mass
- 308.55 g/mol
- Monoisotopic mass
- 306.96108
Names & identifiers
- Preferred name
- 2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene
- IUPAC
- 2-(4-bromobutoxy)-1-chloro-4-nitrobenzene
Names & synonyms
31191-47-62-(4-bromobutoxy)-1-chloro-4-nitrobenzeneNSC212396DTXSID70309613AKOS013326407NSC-212396
Database identifiers
- CAS
31191-47-6- PubChem CID
- 309935
- DTXSID
DTXSID70309613
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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