Diethyl 2-chlorosuccinate
Basic information
- CAS
7209-04-3- Standard SMILES
CCOC(=O)CC(Cl)C(=O)OCC- InChIKey
JWJDXJCSVYLGDD-UHFFFAOYSA-N- Molecular formula
- C8H13ClO4
- Average molar mass
- 208.64 g/mol
- Monoisotopic mass
- 208.0502366
Names & identifiers
- Preferred name
- Diethyl 2-chlorosuccinate
- IUPAC
- diethyl 2-chlorobutanedioate
Names & synonyms
diethyl 2-chlorosuccinate7209-04-3Butanedioic acid, 2-chloro-, 1,4-diethyl esterDiethyl 2-chlorobutanedioatediethyl2-chlorosuccinateTofacitinib Impurity 249SCHEMBL8308112DTXSID40601651MFCD24476599CS-0164381H83813diethyl 2-chlorosuccinate? (Tofacitinib Impurity pound(c)
Database identifiers
- CAS
7209-04-3- PubChem CID
- 19981041
- DTXSID
DTXSID40601651
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
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Compound notes
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