CAS 7292-73-1|amino(4-fluorophenyl)acetic acid|2-amino-2-(4-fluorophenyl)acetic acid|2-Amino-2-(4-fluorophenyl)acetic acid|4-Fluoro-DL-phenylglycine 98%|amino(4-fluorophenyl)acetic acid|4-氟-DL-苯-甘...

General Information

Structure

Molecular Formula

C₈H₈FNO₂

Molecular Mass

169.1530232

Exact Mass

169.05390672

Charge

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

Canonic Smiles

NC(c1ccc(cc1)F)C(=O)O

Isomeric Smiles

C(=O)(C(c1ccc(cc1)F)N)O

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

Polarizability

15.7752905

Polar Surface Area

63.32

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

amino(4-fluorophenyl)acetic acid

IUPAC name

2-amino-2-(4-fluorophenyl)acetic acid

Synonyms

2-Amino-2-(4-fluorophenyl)acetic acid4-Fluoro-DL-phenylglycine 98%amino(4-fluorophenyl)acetic acid4-氟-DL-苯-甘氨酸4-Fluoro-DL-phenylglycine(+/-)-alpha-Amino-4-fluorophenylacetic acidH-DL-Phg(4-F)-OH4-Fluoro-DL-α-phenylglycineDL-4-氟苯甘氨酸

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

EC Number

Beilstein Number