Basic information
- CAS
6942-68-3- Standard SMILES
Nc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1- InChIKey
ZUSLNMMDEFMPJH-UHFFFAOYSA-N- Molecular formula
- C21H17NO3
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.1208434
Names & identifiers
- Preferred name
- 2-(Biphenyl-4-yl)-2-oxoethyl 4-aminobenzoate
- IUPAC
- [2-oxo-2-(4-phenylphenyl)ethyl] 4-aminobenzoate
Names & synonyms
2-(biphenyl-4-yl)-2-oxoethyl 4-aminobenzoate6942-68-3[2-oxo-2-(4-phenylphenyl)ethyl] 4-aminobenzoateNSC57284NCIOpen2_007589DTXSID00288669NSC-57284AKOS0037546632-biphenyl-4-yl-2-oxoethyl 4-aminobenzoate2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl 4-aminobenzoate
Database identifiers
- CAS
6942-68-3- PubChem CID
- 245342
- DTXSID
DTXSID00288669
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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