Home Other Building Blocks 2,3,4,5,6-Pentafluorobenzamide

2,3,4,5,6-Pentafluorobenzamide

CAS No.:
652-31-3
Catalog Number:
AG003FD0
Molecular Formula:
C7H2F5NO
Molecular Weight:
211.0889
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$77
- +
Product Description
Catalog Number:
AG003FD0
Chemical Name:
2,3,4,5,6-Pentafluorobenzamide
CAS Number:
652-31-3
Molecular Formula:
C7H2F5NO
Molecular Weight:
211.0889
MDL Number:
MFCD00007971
IUPAC Name:
2,3,4,5,6-pentafluorobenzamide
InChI:
InChI=1S/C7H2F5NO/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H2,13,14)
InChI Key:
WPWWHXPRJFDTTJ-UHFFFAOYSA-N
SMILES:
Fc1c(F)c(C(=O)N)c(c(c1F)F)F
EC Number:
211-488-1
NSC Number:
96889
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.091g/mol
Monoisotopic Mass:
211.006g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Neuroactive steroids with perfluorobenzoyl group. Steroids 20121001
GC-MS assay for hepatic DDAH activity in diabetic and non-diabetic rats by measuring dimethylamine (DMA) formed from asymmetric dimethylarginine (ADMA): evaluation of the importance of S-nitrosothiols as inhibitors of DDAH activity in vitro and in vivo in humans. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20071015
Accurate quantification of dimethylamine (DMA) in human urine by gas chromatography-mass spectrometry as pentafluorobenzamide derivative: evaluation of the relationship between DMA and its precursor asymmetric dimethylarginine (ADMA) in health and disease. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070515
Accurate quantification of dimethylamine (DMA) in human plasma and serum by GC-MS and GC-tandem MS as pentafluorobenzamide derivative in the positive-ion chemical ionization mode. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070515
Variable-temperature powder X-ray diffraction of aromatic carboxylic acid and carboxamide cocrystals. Chemistry, an Asian journal 20070402
Carbonic anhydrase inhibitors: X-ray crystallographic structure of the adduct of human isozyme II with the perfluorobenzoyl analogue of methazolamide. Implications for the drug design of fluorinated inhibitors. Journal of enzyme inhibition and medicinal chemistry 20030801
Assessment of tear concentrations on therapeutic drug monitoring. III. Determination of theophylline in tears by gas chromatography/mass spectrometry with electron ionization mode. Drug metabolism and pharmacokinetics 20030101
Properties