Bis(2-chloroethyl) hexanedioate
Basic information
- CAS
7744-81-2- Standard SMILES
O=C(CCCCC(=O)OCCCl)OCCCl- InChIKey
WLORHGNITQGZGZ-UHFFFAOYSA-N- Molecular formula
- C10H16Cl2O4
- Average molar mass
- 271.13 g/mol
- Monoisotopic mass
- 270.0425644
Names & identifiers
- Preferred name
- Bis(2-chloroethyl) hexanedioate
- IUPAC
- bis(2-chloroethyl) hexanedioate
Names & synonyms
Bis(2-chloroethyl) hexanedioate7744-81-2DTXSID50287324RefChem:329601DTXCID50238472bis(2-chloroethyl) adipateSCHEMBL9683141WLORHGNITQGZGZ-UHFFFAOYSA-NBis(2-chloroethyl) hexanedioate #NSC50326NSC-50326Hexanedioic acid, bis(2-chloroethyl) ester
Database identifiers
- CAS
7744-81-2- PubChem CID
- 242147
- DTXSID
DTXSID50287324
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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