Home Other Building Blocks 3-(4-Cyano-3-fluorophenyl)benzoic acid

3-(4-Cyano-3-fluorophenyl)benzoic acid

CAS No.:
1393441-83-2
Catalog Number:
AG009X0W
Molecular Formula:
C14H8FNO2
Molecular Weight:
241.2172
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$250
- +
1g
95%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG009X0W
Chemical Name:
3-(4-Cyano-3-fluorophenyl)benzoic acid
CAS Number:
1393441-83-2
Molecular Formula:
C14H8FNO2
Molecular Weight:
241.2172
MDL Number:
MFCD22383718
IUPAC Name:
3-(4-cyano-3-fluorophenyl)benzoic acid
InChI:
InChI=1S/C14H8FNO2/c15-13-7-10(4-5-12(13)8-16)9-2-1-3-11(6-9)14(17)18/h1-7H,(H,17,18)
InChI Key:
UZYLWBSKSGNMBE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)c1cccc(c1)C(=O)O
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.054g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.221g/mol
Monoisotopic Mass:
241.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties