Basic information
- CAS
701248-46-6- Standard SMILES
CC(Oc1ccc(Br)cc1)C(=O)Nc1ccccc1- InChIKey
ANGJFFCVXZGNOQ-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO2
- Average molar mass
- 320.18 g/mol
- Monoisotopic mass
- 319.02079
Names & identifiers
- Preferred name
- 2-(4-bromophenoxy)-N-phenylpropanamide
- IUPAC
- 2-(4-bromophenoxy)-N-phenylpropanamide
- English name
- 2-(4-bromophenoxy)-N-phenylpropanamide
- Molecular formula
- C15H14BrNO2
- Molecular weight
- 320.18
Names & synonyms
2-(4-bromophenoxy)-N-phenylpropanamideSTK220958AKOS002762828AKOS016133858701248-46-6SR-01000274421SR-01000274421-1Propanamide, 2-(4-bromophenoxy)-N-phenyl-
Database identifiers
- CAS
701248-46-6- PubChem CID
- 2953488
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 491.4 · 491.4±25.0 °C(Predicted)
- Density
- 1.429 · 1.429±0.06 g/cm3(Predicted)
- pka
- 13.39 · 13.39±0.70(Predicted)
Chemistry & industry
Suppliers2 total
VITAS-BB—
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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