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7292-73-1 molecular structure
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2-amino-2-(4-fluorophenyl)acetic acid

ChemBase ID: 8356
Molecular Formular: C8H8FNO2
Molecular Mass: 169.1530232
Monoisotopic Mass: 169.05390672
SMILES and InChIs

SMILES:
C(=O)(C(c1ccc(cc1)F)N)O
Canonical SMILES:
NC(c1ccc(cc1)F)C(=O)O
InChI:
InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChIKey:
JKFYKCYQEWQPTM-UHFFFAOYSA-N

Cite this record

CBID:8356 http://www.chembase.cn/molecule-8356.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-2-(4-fluorophenyl)acetic acid
IUPAC Traditional name
amino(4-fluorophenyl)acetic acid
Synonyms
(+/-)-alpha-Amino-4-fluorophenylacetic acid
H-DL-Phg(4-F)-OH
4-Fluoro-DL-phenylglycine
4-Fluoro-DL-α-phenylglycine
amino(4-fluorophenyl)acetic acid
4-Fluoro-DL-phenylglycine 98%
2-Amino-2-(4-fluorophenyl)acetic acid
4-氟-DL-苯-甘氨酸
DL-4-氟苯甘氨酸
CAS Number
7292-73-1
EC Number
230-724-4
MDL Number
MFCD00066444
Beilstein Number
2804849
PubChem SID
24870917
160971663
PubChem CID
98313

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.5611964  H Acceptors
H Donor LogD (pH = 5.5) -1.3307201 
LogD (pH = 7.4) -1.3469683  Log P -1.3306649 
Molar Refractivity 40.5777 cm3 Polarizability 15.7752905 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
>300°C expand Show data source
>300°C expand Show data source
≥300 °C(lit.) expand Show data source
247 (dec) °C expand Show data source
Partition Coefficient
-1.45773 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
>95% expand Show data source
≥98.0% expand Show data source
95+% expand Show data source
97% expand Show data source
Linear Formula
FC6H4CH(NH2)COOH expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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