Basic information
- Standard SMILES
CCNC(=O)Oc1cc(OC(=O)NCC)cc(C(=O)CBr)c1- InChIKey
MHSCTPSUPCVLAG-UHFFFAOYSA-N- Molecular formula
- C14H17BrN2O5
- Average molar mass
- 373.2 g/mol
Names & identifiers
- Preferred name
- 3',5'-bis-(N-ethylcarbamoyloxy)-2-bromo acetophenone
- IUPAC
- [3-(2-bromoacetyl)-5-(ethylcarbamoyloxy)phenyl] N-ethylcarbamate
Names & synonyms
SCHEMBL11042403MHSCTPSUPCVLAG-UHFFFAOYSA-N3',5'-bis-(N-ethylcarbamoyloxy)-2-bromo acetophenone
Database identifiers
- PubChem CID
- 20458601
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Related reactions
2 records
Compound notes
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