HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178591663Generated: October 28, 2026
(2S)-2-amino-3-(4-chloro-2-fluoro-3-methoxyphenyl)propanoic acid
Phenylalanine, 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
https://huagongshe.com/en/chemical/178591663
Identifiers & Physical Properties
| CAS No. | 1706418-83-8 |
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| Molecular formula | C10H11ClFNO3 |
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| Average molar mass | 247.65 g/mol |
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| Monoisotopic mass | 247.0411491 g/mol |
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| SMILES | COc1c(Cl)ccc(C[C@H](N)C(=O)O)c1F |
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| InChIKey | PVFWDJBNASYQGK-ZETCQYMHSA-N |
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| PubChem CID | 97109412 |
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Chemical & Physical Properties
| XLogP | -0.7 |
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| Topological polar surface area | 72.6 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 16 |
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| Formal charge | 0 |
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| Complexity | 254 |
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| Boiling point | 376.8±42.0 °C(Predicted) |
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| Density | 1.394±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 2.16±0.25(Predicted) |
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| Physical state | Solid |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338-P321 |
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| Customs code | 2922498590 |
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Safety & Regulations
| Customs code | 2922498590 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338-P321 |
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