Basic information
- CAS
209345-05-1- Standard SMILES
CCOC(=O)c1cccc(NC(=O)CBr)c1- InChIKey
RHJZEEATPWQQPX-UHFFFAOYSA-N- Molecular formula
- C11H12BrNO3
- Average molar mass
- 286.12 g/mol
- Monoisotopic mass
- 285.00006
Names & identifiers
- Preferred name
- Ethyl 3-[(2-bromoacetyl)amino]benzoate
- IUPAC
- ethyl 3-[(2-bromoacetyl)amino]benzoate
Names & synonyms
209345-05-1ethyl 3-[(2-bromoacetyl)amino]benzoate3-Bromoacetamido-benzoic acid ethyl esterSCHEMBL6689527CHEMBL1978105DTXSID30327974HSCI1_000003NSC708444AKOS012991066NSC-708444NCI60_038409ETHYL 3-(2-BROMOACETAMIDO)BENZOATE
Database identifiers
- CAS
209345-05-1- PubChem CID
- 398529
- DTXSID
DTXSID30327974- ChEMBL
CHEMBL1978105
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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