Ethyl 5-amino-2-(3-bromophenoxy)benzoate
Basic information
- CAS
1305814-97-4- Standard SMILES
CCOC(=O)c1cc(N)ccc1Oc1cccc(Br)c1- InChIKey
LGAODEMSJOEKOV-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO3
- Average molar mass
- 336.18 g/mol
- Monoisotopic mass
- 335.01571
Names & identifiers
- Preferred name
- Ethyl 5-amino-2-(3-bromophenoxy)benzoate
- IUPAC
- ethyl 5-amino-2-(3-bromophenoxy)benzoate
Names & synonyms
DTXSID401210246AKOS010559875ethyl 5-amino-2-(3-bromophenoxy)benzoateBenzoic acid, 5-amino-2-(3-bromophenoxy)-, ethyl ester1305814-97-4
Database identifiers
- CAS
1305814-97-4- PubChem CID
- 61306136
- DTXSID
DTXSID401210246
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
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Compound notes
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