Home Nitriles 2-(4-fluorophenyl)-3-oxobutyronitrile

2-(4-fluorophenyl)-3-oxobutyronitrile

CAS No.:
447-03-0
Catalog Number:
AG00DJUZ
Molecular Formula:
C10H8FNO
Molecular Weight:
177.1750
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Product Description
Catalog Number:
AG00DJUZ
Chemical Name:
2-(4-fluorophenyl)-3-oxobutyronitrile
CAS Number:
447-03-0
Molecular Formula:
C10H8FNO
Molecular Weight:
177.1750
MDL Number:
MFCD00055281
IUPAC Name:
2-(4-fluorophenyl)-3-oxobutanenitrile
InChI:
InChI=1S/C10H8FNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3
InChI Key:
BASLPLDKFVWJLO-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)F)C(=O)C
EC Number:
207-178-0
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.178g/mol
Monoisotopic Mass:
177.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties