Basic information
- CAS
63732-08-1- Standard SMILES
CCOC(=O)CC(=O)OC(Br)C(Cl)(Cl)Cl- InChIKey
VVVRYQWQSSUBOC-UHFFFAOYSA-N- Molecular formula
- C7H8BrCl3O4
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 339.86715
Names & identifiers
- Preferred name
- 1-Bromo-2,2,2-trichloroethyl ethyl propanedioate
- IUPAC
- 3-O-(1-bromo-2,2,2-trichloroethyl) 1-O-ethyl propanedioate
- English name
- Malonic acid 1-ethyl 3-(1-bromo-2,2,2-trichloroethyl) ester
- Molecular formula
- C7H8BrCl3O4
- Molecular weight
- 342.4
Names & synonyms
63732-08-1DTXSID209801931-bromo-2,2,2-trichloroethyl ethyl propanedioateRefChem:1055018DTXCID601407471Bromotrichloroethyl ethyl malonateSC 1383Propanedioic acid, (1-bromo-2,2,2-trichloroethyl) ethyl esterMALONIC ACID, (1-BROMO-2,2,2-TRICHLOROETHYL) ETHYL ESTERMalonic acid 1-ethyl 3-(1-bromo-2,2,2-trichloroethyl) esterDB-319729SC-1383
Show more names
Propanedioic acid, 1-(1-bromo-2,2,2-trichloroethyl) 3-ethyl ester
Database identifiers
- CAS
63732-08-1- PubChem CID
- 44649
- DTXSID
DTXSID20980193- Nikkaji
- J85.375E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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