Home Other Building Blocks 2,6-Dimethyl-4-fluorobenzoic acid

2,6-Dimethyl-4-fluorobenzoic acid

CAS No.:
16633-50-4
Catalog Number:
AG001WN5
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$88
- +
5g
96%
In Stock USA
United States
$263
- +
10g
96%
In Stock USA
United States
$450
- +
25g
96%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG001WN5
Chemical Name:
2,6-Dimethyl-4-fluorobenzoic acid
CAS Number:
16633-50-4
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
MDL Number:
MFCD22054926
IUPAC Name:
4-fluoro-2,6-dimethylbenzoic acid
InChI:
InChI=1S/C9H9FO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
PQYFAAZGSGZNGG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)cc(cc1C)F
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.167g/mol
Monoisotopic Mass:
168.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties