Basic information
- CAS
67866-76-6- Standard SMILES
NC(C(=O)O)C(F)C(=O)O- InChIKey
WKTWOKOOUAZXQP-UHFFFAOYSA-N- Molecular formula
- C4H6FNO4
- Average molar mass
- 151.09 g/mol
- Monoisotopic mass
- 151.02808583
Names & identifiers
- Preferred name
- 2-Amino-3-fluorobutanedioic acid
- IUPAC
- 2-amino-3-fluorobutanedioic acid
- English name
- 2-amino-3-fluoro-butanedioic acid
- Molecular formula
- C4H6FNO4
- Molecular weight
- 151.09
Names & synonyms
2-amino-3-fluorobutanedioic acid67866-76-63-Fluoroaspartic acid2-AMINO-3-FLUORO-BUTANEDIOIC ACIDCHEMBL170005SCHEMBL5298388DTXSID70987213NSC300529NSC-300529DB-260692EN300-1296952Fluoro-D-aspartic acid
Show more names
Aspartic acid, 3-fluoro-Asparticacid,3-fluoro-(9CI)
Database identifiers
- CAS
67866-76-6- PubChem CID
- 327059
- DTXSID
DTXSID70987213- ChEMBL
CHEMBL170005- Nikkaji
- J2.365.088F
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 284.3 · 284.3±40.0 °C(Predicted)
- Density
- 1.612 · 1.612±0.06 g/cm3(Predicted)
- pka
- 1.46 · 1.46±0.25(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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