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Basic information
- CAS
1415929-03-1- Standard SMILES
CC(Nc1cc(Br)c(F)cc1C(=O)O)C(=O)O- InChIKey
UEWQZMWDADNKQZ-UHFFFAOYSA-N- Molecular formula
- C10H9BrFNO4
- Average molar mass
- 306.08 g/mol
- Monoisotopic mass
- 304.96989809
Names & identifiers
- Preferred name
- 4-Bromo-2-((1-carboxyethyl)amino)-5-fluorobenzoic acid
- IUPAC
- 4-bromo-2-(1-carboxyethylamino)-5-fluorobenzoic acid
Names & synonyms
4-bromo-2-((1-carboxyethyl)amino)-5-fluorobenzoic acid4-Bromo-2-[(1-carboxyethyl)amino]-5-fluorobenzoic acidSCHEMBL14157604UEWQZMWDADNKQZ-UHFFFAOYSA-NDTXSID401196955Benzoic acid, 4-bromo-2-[(1-carboxyethyl)amino]-5-fluoro-1415929-03-1
Database identifiers
- CAS
1415929-03-1- PubChem CID
- 71089652
- DTXSID
DTXSID401196955
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
2 records
Compound notes
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