Home Aminos (4-Fluoro-benzoylamino)-acetic acid

(4-Fluoro-benzoylamino)-acetic acid

CAS No.:
366-79-0
Catalog Number:
AG00CW88
Molecular Formula:
C9H8FNO3
Molecular Weight:
197.1631
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
200mg
>98.0%(GC)(T)
1 week
United States
$112
- +
1g
>98.0%(GC)(T)
1 week
United States
$284
- +
Product Description
Catalog Number:
AG00CW88
Chemical Name:
(4-Fluoro-benzoylamino)-acetic acid
CAS Number:
366-79-0
Molecular Formula:
C9H8FNO3
Molecular Weight:
197.1631
MDL Number:
MFCD00462263
IUPAC Name:
2-[(4-fluorobenzoyl)amino]acetic acid
InChI:
InChI=1S/C9H8FNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChI Key:
NVWXSGQHHUSSOU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)F)NCC(=O)O
UNII:
6DD1839D93
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.165g/mol
Monoisotopic Mass:
197.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Renogram comparison of p-[(18)F]fluorohippurate with o-[(125)I]iodohippurate and [(99m)Tc]MAG3 in normal rats. Nuclear medicine communications 20111001
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Identification of human metabolites of (-)-N-{2-[(R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidino]ethyl}-4-fluorobenzamide (YM758), a novel If channel inhibitor, and investigation of the transporter-mediated renal and hepatic excretion of these metabolites. Drug metabolism and disposition: the biological fate of chemicals 20090801
Identification and simultaneous determination of p-FHA and p-FBA, two metabolites of anti-tumor agent--Fluorapacin in rat urine. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20090515
Investigation of the in vitro metabolism of the analgesic flupirtine. Drug metabolism and disposition: the biological fate of chemicals 20090301
Properties