Basic information
- CAS
592-61-0- Standard SMILES
CS(=O)(=O)OCCCCF- InChIKey
ZCFWEKWCFXVHSA-UHFFFAOYSA-N- Molecular formula
- C5H11FO3S
- Average molar mass
- 170.2 g/mol
- Monoisotopic mass
- 170.04129343
Names & identifiers
- Preferred name
- 1-Butanol, 4-fluoro-, methanesulfonate
- IUPAC
- 4-fluorobutyl methanesulfonate
- English name
- Methanesulfonic acid 4-fluorobutyl ester
- Molecular formula
- C5H11FO3S
- Molecular weight
- 170.2
Names & synonyms
592-61-04-Fluoro-1-butyl methanesulfonate4-Fluorobutylmesylate1-Butanol, 4-fluoro-, methanesulfonate6IOQ716P49NSC-65341DTXSID20207938ENT-50430RefChem:1055102DTXCID701304294-Fluorobutyl methanesulfonateENT 50430
Show more names
1-Butanol, 4-fluoro-, 1-methanesulfonateMethanesulfonic acid 4-fluorobutyl ester
Methanesulfonic acid, 4-fluorobutyl ester4-Fluorobutyl mesylate4-Fluorobutyl methanesulphonateNSC 65341BRN 17625491-Butanol, methanesulfonate1-Butanol, 4-fluoro-, methanesulfonate (9CI)NCIOpen2_000141
Database identifiers
- CAS
592-61-0- PubChem CID
- 68965
- DTXSID
DTXSID20207938- UNII
- 6IOQ716P49
- Nikkaji
- J53.691A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- FDA UNII
- 6 IOQ716P49 · 6IOQ716P49
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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