Basic information
- CAS
5977-94-6- Standard SMILES
CC(=O)NC(CCC(=O)c1ccc(Br)cc1)C(=O)O- InChIKey
UNSRNMBTJNAEGL-UHFFFAOYSA-N- Molecular formula
- C13H14BrNO4
- Average molar mass
- 328.16 g/mol
- Monoisotopic mass
- 327.01062
Names & identifiers
- Preferred name
- 2-(Acetylamino)-5-(4-bromophenyl)-5-oxopentanoic acid
- IUPAC
- 2-acetamido-5-(4-bromophenyl)-5-oxopentanoic acid
Names & synonyms
5977-94-62-(acetylamino)-5-(4-bromophenyl)-5-oxopentanoic acid2-acetamido-5-(4-bromophenyl)-5-oxopentanoic acidNSC31715DTXSID80283470NSC-31715
Database identifiers
- CAS
5977-94-6- PubChem CID
- 233302
- DTXSID
DTXSID80283470
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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