Home Nitriles 3-Acetyl-4-fluorobenzonitrile

3-Acetyl-4-fluorobenzonitrile

CAS No.:
267875-54-7
Catalog Number:
AG00BFP5
Molecular Formula:
C9H6FNO
Molecular Weight:
163.1484
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$150
- +
5g
95%
In Stock USA
United States
$450
- +
10g
95%
In Stock USA
United States
$750
- +
25g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00BFP5
Chemical Name:
3-Acetyl-4-fluorobenzonitrile
CAS Number:
267875-54-7
Molecular Formula:
C9H6FNO
Molecular Weight:
163.1484
MDL Number:
MFCD17015615
IUPAC Name:
3-acetyl-4-fluorobenzonitrile
InChI:
InChI=1S/C9H6FNO/c1-6(12)8-4-7(5-11)2-3-9(8)10/h2-4H,1H3
InChI Key:
XYIXCXJIMRIJNE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(=O)C)F
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.151g/mol
Monoisotopic Mass:
163.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties