Basic information
- CAS
61888-73-1- Standard SMILES
COC(=O)Cc1cc(OS(C)(=O)=O)cc(-c2ccc(Cl)cc2)c1- InChIKey
OXRBXLIOKMPFCU-UHFFFAOYSA-N- Molecular formula
- C16H15ClO5S
- Average molar mass
- 354.8 g/mol
- Monoisotopic mass
- 354.0328724
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester
- IUPAC
- methyl 2-[3-(4-chlorophenyl)-5-methylsulfonyloxyphenyl]acetate
- English name
- 4'-Chloro-5-methylsulfonyloxy-3-biphenylacetic acid, methyl ester
- Molecular formula
- C16H15ClO5S
- Molecular weight
- 354.81
Names & synonyms
61888-73-1BRN 21702563-BIPHENYLACETIC ACID, 4'-CHLORO-5-METHYLSULFONYLOXY-, METHYL ESTER4'-Chloro-5-methylsulfonyloxy-3-biphenylacetic acid methyl esterDTXSID30210897RefChem:277102DTXCID60133388CHEMBL3244549Methyl {4'-chloro-5-[(methylsulfonyl)oxy]-3-biphenylyl}acetateMethyl {4'-chloro-5-[(methanesulfonyl)oxy][1,1'-biphenyl]-3-yl}acetate4'-Chloro-5-methylsulfonyloxy-3-biphenylacetic acid, methyl ester4'-Chloro-5-[(methylsulfonyl)oxy]-1,1'-biphenyl-3-acetic acid methyl ester
Show more names
[1,1'-Biphenyl]-3-acetic acid, 4'-chloro-5-[(methylsulfonyl)oxy]-, methyl ester
Database identifiers
- CAS
61888-73-1- PubChem CID
- 43847
- DTXSID
DTXSID30210897
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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