Methanesulfonic acid, chloro-, tetramethylene ester
Basic information
- CAS
29166-53-8- Standard SMILES
O=S(=O)(CCl)OCCCCOS(=O)(=O)CCl- InChIKey
HCEJAMHXERWOTP-UHFFFAOYSA-N- Molecular formula
- C6H12Cl2O6S2
- Average molar mass
- 315.2 g/mol
- Monoisotopic mass
- 313.9452358
Names & identifiers
- Preferred name
- Methanesulfonic acid, chloro-, tetramethylene ester
- IUPAC
- 4-(chloromethylsulfonyloxy)butyl chloromethanesulfonate
Names & synonyms
29166-53-8butane-1,4-diyl bis(chloromethanesulfonate)Methanesulfonic acid, chloro-, tetramethylene esterDTXSID20951762HCEJAMHXERWOTP-UHFFFAOYSA-NNSC106308NSC-106308Methanesulfonic acid, 1,4-butanediyl esterMethanesulfonic acid chloro-1,4-butanediyl esterMethanesulfonic acid, chloro-, 1,4-butanediyl ester4-([(Chloromethyl)sulfonyl]oxy)butyl chloromethanesulfonate #
Database identifiers
- CAS
29166-53-8- PubChem CID
- 267183
- DTXSID
DTXSID20951762
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 327
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Related reactions
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Compound notes
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