2-Amino-3-(2-chloro-6-fluoro-3-methoxyphenyl)propanoic acid
Basic information
- CAS
1256482-61-7- Standard SMILES
COc1ccc(F)c(CC(N)C(=O)O)c1Cl- InChIKey
JJCVZWPZVUFAPY-UHFFFAOYSA-N- Molecular formula
- C10H11ClFNO3
- Average molar mass
- 247.65 g/mol
- Monoisotopic mass
- 247.0411491
Names & identifiers
- Preferred name
- 2-Amino-3-(2-chloro-6-fluoro-3-methoxyphenyl)propanoic acid
- IUPAC
- 2-amino-3-(2-chloro-6-fluoro-3-methoxyphenyl)propanoic acid
- English name
- 2-Chloro-6-fluoro-3-methoxy-DL-phenylalanine
- Molecular formula
- C10H11ClFNO3
- Molecular weight
- 247.66
Names & synonyms
1256482-61-72-amino-3-(2-chloro-6-fluoro-3-methoxyphenyl)propanoic acid2-CHLORO-6-FLUORO-3-METHOXY-DL-PHENYLALANINEMFCD09832380DTXSID701381787SBB100310AKOS0159569412-amino-3-(2-chloro-6-fluoro-3-methoxyphenyl)propanoicacid2-amino-3-(2-chloro-6-fluoro-3-methoxy-phenyl)propanoic acid2-Chloro-6-fluoro-3-methoxy-DL-phenylalanine (H-DL-Phe(2-Cl,6-F,3-OMe)-OH)
Database identifiers
- CAS
1256482-61-7- PubChem CID
- 46737692
- DTXSID
DTXSID701381787
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 381.6 · 381.6±42.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- pka
- 2.15 · 2.15±0.20(Predicted)
- HS Code
- 2922498590 · 2922498590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922498590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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