Basic information
- CAS
59866-72-7- Standard SMILES
O=C(OC(Cl)C(Br)(Br)Br)C(Br)CBr- InChIKey
NGCYKKQMUGJOQS-UHFFFAOYSA-N- Molecular formula
- C5H4Br5ClO2
- Average molar mass
- 531.06 g/mol
- Monoisotopic mass
- 525.58167
Names & identifiers
- Preferred name
- 2,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionate
- IUPAC
- (2,2,2-tribromo-1-chloroethyl) 2,3-dibromopropanoate
- English name
- 2,2,2-tribromo-1-chloroethyl 2,3-dibromopropionate
- Molecular formula
- C5H4Br5ClO2
- Molecular weight
- 531.06
Names & synonyms
59866-72-72,2,2-tribromo-1-chloroethyl 2,3-dibromopropanoateEINECS 261-965-32,2,2-Tribromo-1-chloroethyl 2,3-dibromopropionateSCHEMBL11628796DTXSID10975270NGCYKKQMUGJOQS-UHFFFAOYSA-NNS00056446(2,2,2-tribromo-1-chloroethyl) 2,3-dibromopropanoate2,3-Dibromopropanoic acid 2,2,2-tribromo-1-chloroethyl esterPropanoic acid, 2,3-dibromo-, 2,2,2-tribromo-1-chloroethyl ester
Database identifiers
- CAS
59866-72-7- PubChem CID
- 108403
- DTXSID
DTXSID10975270- EC Number
- 261-965-3
- Nikkaji
- J298.249H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 403.3 · 403.3±40.0 °C(Predicted)
- Density
- 2.756 · 2.756±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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