3-Bromo-1,2,4-trimethyl-5-nitrobenzene
Basic information
- CAS
18087-51-9- Standard SMILES
Cc1cc([N+](=O)[O-])c(C)c(Br)c1C- InChIKey
KPQBZJCFTJHRJU-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO2
- Average molar mass
- 244.08 g/mol
- Monoisotopic mass
- 242.98949
Names & identifiers
- Preferred name
- 3-Bromo-1,2,4-trimethyl-5-nitrobenzene
- IUPAC
- 3-bromo-1,2,4-trimethyl-5-nitrobenzene
Names & synonyms
3-bromo-1,2,4-trimethyl-5-nitrobenzeneNSC27192818087-51-9NSC-271928NCIStruc1_000675NCIStruc2_000778(3-bromo-2,4,5-trimethylphenyl)(hydroxy)azane oxideCHEMBL1742245SCHEMBL19948334DTXSID70313538CCG-37837NCGC00014629
Show more names
NCI271928NCGC00014629-02NCGC00097732-01NCI60_002221
Database identifiers
- CAS
18087-51-9- PubChem CID
- 321408
- DTXSID
DTXSID70313538- ChEMBL
CHEMBL1742245
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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