Cyclopentanecarboxylic acid, 1-((4-bromophenyl)sulfonyl)-, methyl ester
Basic information
- CAS
160790-07-8- Standard SMILES
COC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1- InChIKey
GTCWZRDSJBFIDT-UHFFFAOYSA-N- Molecular formula
- C13H15BrO4S
- Average molar mass
- 347.23 g/mol
- Monoisotopic mass
- 345.98744
Names & identifiers
- Preferred name
- Cyclopentanecarboxylic acid, 1-((4-bromophenyl)sulfonyl)-, methyl ester
- IUPAC
- methyl 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate
Names & synonyms
160790-07-8Cyclopentanecarboxylic acid, 1-((4-bromophenyl)sulfonyl)-, methyl estermethyl 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylatemethyl 1-[(4-bromophenyl)sulfonyl]cyclopentanecarboxylateCBMicro_027073DTXSID00166993BIM-0027054.P001AK-918/11495012SR-01000215994SR-01000215994-1Methyl 1-(4-bromobenzene-1-sulfonyl)cyclopentane-1-carboxylate
Database identifiers
- CAS
160790-07-8- PubChem CID
- 93548
- DTXSID
DTXSID00166993- Nikkaji
- J667.571I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 426
Experimental & physicochemical properties
LogP2.73
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…