3-Azaniumyl-3-(3-bromo-4-phenylmethoxyphenyl)propanoate
Basic information
- CAS
299438-98-5- Standard SMILES
[NH3+]C(CC(=O)[O-])c1ccc(OCc2ccccc2)c(Br)c1- InChIKey
UVUOXDNGWACRSJ-UHFFFAOYSA-N- Molecular formula
- C16H16BrNO3
- Average molar mass
- 350.21 g/mol
- Monoisotopic mass
- 349.03136
Names & identifiers
- Preferred name
- 3-Azaniumyl-3-(3-bromo-4-phenylmethoxyphenyl)propanoate
- IUPAC
- 3-azaniumyl-3-(3-bromo-4-phenylmethoxyphenyl)propanoate
Database identifiers
- CAS
299438-98-5- PubChem CID
- 5227822
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…