Basic information
- CAS
105026-30-0- Standard SMILES
N#CCCNc1ccc(Br)cc1C(=O)O- InChIKey
CIEQDNJVLAXDLJ-UHFFFAOYSA-N- Molecular formula
- C10H9BrN2O2
- Average molar mass
- 269.09 g/mol
- Monoisotopic mass
- 267.98474
Names & identifiers
- Preferred name
- 5-Bromo-2-[(2-cyanoethyl)amino]benzoic acid
- IUPAC
- 5-bromo-2-(2-cyanoethylamino)benzoic acid
Names & synonyms
105026-30-05-Bromo-2-[(2-cyanoethyl)amino]benzoic acidDTXSID60542113
Database identifiers
- CAS
105026-30-0- PubChem CID
- 13492001
- DTXSID
DTXSID60542113
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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