Basic information
- CAS
1706418-83-8- Standard SMILES
COc1c(Cl)ccc(C[C@H](N)C(=O)O)c1F- InChIKey
PVFWDJBNASYQGK-ZETCQYMHSA-N- Molecular formula
- C10H11ClFNO3
- Average molar mass
- 247.65 g/mol
- Monoisotopic mass
- 247.0411491
Names & identifiers
- Preferred name
- (2S)-2-amino-3-(4-chloro-2-fluoro-3-methoxyphenyl)propanoic acid
- IUPAC
- (2S)-2-amino-3-(4-chloro-2-fluoro-3-methoxyphenyl)propanoic acid
- English name
- 4-Chloro-2-fluoro-3-Methoxy-DL-phenylalanine, 97%
- Molecular formula
- C10H11ClFNO3
- Molecular weight
- 247.65
Names & synonyms
(2S)-2-amino-3-(4-chloro-2-fluoro-3-methoxyphenyl)propanoic acidAKOS037653573JS-4987(2S)-2-amino-3-(4-chloro-2-fluoro-3-methoxy-phenyl)propanoic acidPhenylalanine, 4-chloro-2-fluoro-3-methoxy-4-Chloro-2-fluoro-3-Methoxy-DL-phenylalanine, 97%2-Amino-3-(4-chloro-2-fluoro-3-methoxyphenyl)propanoic acid
Database identifiers
- CAS
1706418-83-8- PubChem CID
- 97109412
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
- 376.8 · 376.8±42.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- pka
- 2.16 · 2.16±0.25(Predicted)
- form
- Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P321
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338-P321
Chemistry & industry
Suppliers3 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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