Home Other Building Blocks 3-Fluorophthalic acid

3-Fluorophthalic acid

CAS No.:
1583-67-1
Catalog Number:
AG001Q3P
Molecular Formula:
C8H5FO4
Molecular Weight:
184.1213
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$50
- +
10g
97%
In Stock USA
United States
$82
- +
25g
97%
In Stock USA
United States
$169
- +
100g
97%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG001Q3P
Chemical Name:
3-Fluorophthalic acid
CAS Number:
1583-67-1
Molecular Formula:
C8H5FO4
Molecular Weight:
184.1213
MDL Number:
MFCD00039524
IUPAC Name:
3-fluorophthalic acid
InChI:
InChI=1S/C8H5FO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
BBCQSMSCEJBIRD-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)cccc1C(=O)O
EC Number:
216-433-5
NSC Number:
402999
Properties
Complexity:
228  
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  
Literature
Title Journal
Identification of some novel AHAS inhibitors via molecular docking and virtual screening approach. Bioorganic & medicinal chemistry 20070101
Properties