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266360-59-2 molecular structure
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(2R)-2-amino-3-(2,3-difluorophenyl)propanoic acid

ChemBase ID: 809312
Molecular Formular: C9H9F2NO2
Molecular Mass: 201.1700664
Monoisotopic Mass: 201.06013497
SMILES and InChIs

SMILES:
N[C@H](Cc1c(c(ccc1)F)F)C(=O)O
Canonical SMILES:
N[C@@H](C(=O)O)Cc1cccc(c1F)F
InChI:
InChI=1S/C9H9F2NO2/c10-6-3-1-2-5(8(6)11)4-7(12)9(13)14/h1-3,7H,4,12H2,(H,13,14)/t7-/m1/s1
InChIKey:
KSUXKFDPNKLPHX-SSDOTTSWSA-N

Cite this record

CBID:809312 http://www.chembase.cn/molecule-809312.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-(2,3-difluorophenyl)propanoic acid
IUPAC Traditional name
(2R)-2-amino-3-(2,3-difluorophenyl)propanoic acid
Synonyms
2,3-DIFLUORO-D-PHENYLALANINE
CAS Number
266360-59-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O27604 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O27604 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.4085859  H Acceptors
H Donor LogD (pH = 5.5) -0.89956576 
LogD (pH = 7.4) -0.9046082  Log P -0.8995844 
Molar Refractivity 45.5491 cm3 Polarizability 17.39766 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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