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Home Other Building Blocks 2,3,5,6-Tetrafluoro-4-mercaptobenzoic acid

2,3,5,6-Tetrafluoro-4-mercaptobenzoic acid

CAS No.:
5211-44-9
Catalog Number:
AG003FEM
Molecular Formula:
C7H2F4O2S
Molecular Weight:
226.1482
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$76
- +
1g
95%
In Stock USA
United States
$230
- +
5g
95%
In Stock USA
United States
$758
- +
Product Description
Catalog Number:
AG003FEM
Chemical Name:
2,3,5,6-Tetrafluoro-4-mercaptobenzoic acid
CAS Number:
5211-44-9
Molecular Formula:
C7H2F4O2S
Molecular Weight:
226.1482
MDL Number:
MFCD00129954
IUPAC Name:
2,3,5,6-tetrafluoro-4-sulfanylbenzoic acid
InChI:
InChI=1S/C7H2F4O2S/c8-2-1(7(12)13)3(9)5(11)6(14)4(2)10/h14H,(H,12,13)
InChI Key:
USFMEWZQIHKRDP-UHFFFAOYSA-N
SMILES:
Fc1c(F)c(C(=O)O)c(c(c1S)F)F
NSC Number:
168719
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.971g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.145g/mol
Monoisotopic Mass:
225.971g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Mining the NCI antiviral compounds for HIV-1 integrase inhibitors. Bioorganic & medicinal chemistry 20060601
[Boron neutron capture therapy applied to undifferentiated thyroid carcinoma]. Medicina 20060101
Quantitative determination of SH groups using 19F NMR spectroscopy and disulfide of 2,3,5,6-tetrafluoro-4-mercaptobenzoic acid. Magnetic resonance in chemistry : MRC 20051101
Properties