Home Other Building Blocks 4-(2-FLUOROACETYL)BENZONITRILE

4-(2-FLUOROACETYL)BENZONITRILE

CAS No.:
1046785-07-2
Catalog Number:
AG01DUXX
Molecular Formula:
C9H6FNO
Molecular Weight:
163.1484
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Product Description
Catalog Number:
AG01DUXX
Chemical Name:
4-(2-FLUOROACETYL)BENZONITRILE
CAS Number:
1046785-07-2
Molecular Formula:
C9H6FNO
Molecular Weight:
163.1484
MDL Number:
MFCD24690599
IUPAC Name:
4-(2-fluoroacetyl)benzonitrile
InChI:
InChI=1S/C9H6FNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2
InChI Key:
IPNRDIRJIJRJIV-UHFFFAOYSA-N
SMILES:
FCC(=O)c1ccc(cc1)C#N
Properties
Complexity:
210  
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:
1.6  
Properties