Home Nitriles 3-(2-fluoroacetyl)benzonitrile

3-(2-fluoroacetyl)benzonitrile

CAS No.:
1973478-50-0
Catalog Number:
AG01EJWW
Molecular Formula:
C9H6FNO
Molecular Weight:
163.1484
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Product Description
Catalog Number:
AG01EJWW
Chemical Name:
3-(2-fluoroacetyl)benzonitrile
CAS Number:
1973478-50-0
Molecular Formula:
C9H6FNO
Molecular Weight:
163.1484
MDL Number:
MFCD31629434
IUPAC Name:
3-(2-fluoroacetyl)benzonitrile
InChI:
InChI=1S/C9H6FNO/c10-5-9(12)8-3-1-2-7(4-8)6-11/h1-4H,5H2
InChI Key:
JTRFKVKZKXCAGG-UHFFFAOYSA-N
SMILES:
FCC(=O)c1cccc(c1)C#N
Properties
Complexity:
218  
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:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties