Dimethyl 2,3,5,6-tetrabromobenzene-1,4-dicarboxylate
Basic information
- CAS
54120-51-3- Standard SMILES
COC(=O)c1c(Br)c(Br)c(C(=O)OC)c(Br)c1Br- InChIKey
HEADGKOLESJSGE-UHFFFAOYSA-N- Molecular formula
- C10H6Br4O4
- Average molar mass
- 509.77 g/mol
- Monoisotopic mass
- 505.69996
Names & identifiers
- Preferred name
- Dimethyl 2,3,5,6-tetrabromobenzene-1,4-dicarboxylate
- IUPAC
- dimethyl 2,3,5,6-tetrabromobenzene-1,4-dicarboxylate
Names & synonyms
Dimethyl 2,3,5,6-tetrabromobenzene-1,4-dicarboxylate54120-51-3SCHEMBL8380519DTXSID80601418
Database identifiers
- CAS
54120-51-3- PubChem CID
- 19937005
- DTXSID
DTXSID80601418
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
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Compound notes
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