Home Other Building Blocks 4-Cyano-2,6-difluorobenzoic acid

4-Cyano-2,6-difluorobenzoic acid

CAS No.:
181073-82-5
Catalog Number:
AG0022NF
Molecular Formula:
C8H3F2NO2
Molecular Weight:
183.1117
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$119
- +
1g
96%
In Stock USA
United States
$313
- +
5g
96%
In Stock USA
United States
$938
- +
10g
96%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG0022NF
Chemical Name:
4-Cyano-2,6-difluorobenzoic acid
CAS Number:
181073-82-5
Molecular Formula:
C8H3F2NO2
Molecular Weight:
183.1117
MDL Number:
MFCD09835199
IUPAC Name:
4-cyano-2,6-difluorobenzoic acid
InChI:
InChI=1S/C8H3F2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
InChI Key:
QJDLXGDIYHMIDN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(c(c1)F)C(=O)O
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.013g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.114g/mol
Monoisotopic Mass:
183.013g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties