Home Other Building Blocks 4-Cyano-2-fluorobenzoic acid

4-Cyano-2-fluorobenzoic acid

CAS No.:
164149-28-4
Catalog Number:
AG001UO2
Molecular Formula:
C8H4FNO2
Molecular Weight:
165.1213
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$150
- +
100g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG001UO2
Chemical Name:
4-Cyano-2-fluorobenzoic acid
CAS Number:
164149-28-4
Molecular Formula:
C8H4FNO2
Molecular Weight:
165.1213
MDL Number:
MFCD03094454
IUPAC Name:
4-cyano-2-fluorobenzoic acid
InChI:
InChI=1S/C8H4FNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3H,(H,11,12)
InChI Key:
KEJMSTJTAWACNI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)C(=O)O
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.023g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.123g/mol
Monoisotopic Mass:
165.023g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties