Home Other Building Blocks 5-Fluoroisophthalic acid

5-Fluoroisophthalic acid

CAS No.:
1583-66-0
Catalog Number:
AG001Q3Q
Molecular Formula:
C8H5FO4
Molecular Weight:
184.1213
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$63
- +
5g
97%
In Stock USA
United States
$188
- +
10g
97%
In Stock USA
United States
$313
- +
25g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG001Q3Q
Chemical Name:
5-Fluoroisophthalic acid
CAS Number:
1583-66-0
Molecular Formula:
C8H5FO4
Molecular Weight:
184.1213
MDL Number:
MFCD00230551
IUPAC Name:
5-fluorobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H5FO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
AUIOTTUHAZONIC-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)C(=O)O)C(=O)O
NSC Number:
302311
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.017g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.122g/mol
Monoisotopic Mass:
184.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
4,4'-Bipyridine-5-fluoro-isophthalic acid (1/1). Acta crystallographica. Section E, Structure reports online 20110301
5-Fluoro-isophthalic acid. Acta crystallographica. Section E, Structure reports online 20110301
Properties