(1,1'-Biphenyl)-3-acetic acid, 5-(acetyloxy)-4'-chloro-, methyl ester
Basic information
- CAS
61888-72-0- Standard SMILES
COC(=O)Cc1cc(OC(C)=O)cc(-c2ccc(Cl)cc2)c1- InChIKey
CKMUKGHOCMJBLD-UHFFFAOYSA-N- Molecular formula
- C17H15ClO4
- Average molar mass
- 318.7 g/mol
- Monoisotopic mass
- 318.0658866
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-3-acetic acid, 5-(acetyloxy)-4'-chloro-, methyl ester
- IUPAC
- methyl 2-[3-acetyloxy-5-(4-chlorophenyl)phenyl]acetate
- English name
- 5-(Acetyloxy)-4'-chloro-(1,1'-biphenyl)-3-acetic acid methyl ester
- Molecular formula
- C17H15ClO4
- Molecular weight
- 318.75
Names & synonyms
61888-72-0BRN 2146623(1,1'-Biphenyl)-3-acetic acid, 5-(acetyloxy)-4'-chloro-, methyl esterMethyl 5-acetoxy-4'-chloro-3-biphenylylacetate5-(Acetyloxy)-4'-chloro-(1,1'-biphenyl)-3-acetic acid methyl esterMethyl 5-(acetyloxy)-4'-chloro-(1,1'-biphenyl)-3-acetateDTXSID70210896RefChem:203951DTXCID00133387CHEMBL3244548DB-306249Methyl [5-(acetyloxy)-4'-chloro[1,1'-biphenyl]-3-yl]acetate
Show more names
[1,1'-Biphenyl]-3-acetic acid, 5-(acetyloxy)-4'-chloro-, methyl ester
Database identifiers
- CAS
61888-72-0- PubChem CID
- 3046239
- DTXSID
DTXSID70210896- ChEMBL
CHEMBL3244548
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 417.4 · 417.4±40.0 °C(Predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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