Home Nitriles 4-acetyl-3-fluorobenzonitrile

4-acetyl-3-fluorobenzonitrile

CAS No.:
1352144-78-5
Catalog Number:
AG01A5NM
Molecular Formula:
C9H6FNO
Molecular Weight:
163.1484
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A5NM
Chemical Name:
4-acetyl-3-fluorobenzonitrile
CAS Number:
1352144-78-5
Molecular Formula:
C9H6FNO
Molecular Weight:
163.1484
MDL Number:
MFCD24842986
IUPAC Name:
4-acetyl-3-fluorobenzonitrile
InChI:
InChI=1S/C9H6FNO/c1-6(12)8-3-2-7(5-11)4-9(8)10/h2-4H,1H3
InChI Key:
FPUKFDAMYXSCGA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)C(=O)C
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