Home Nitriles 2-[cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile

2-[cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile

CAS No.:
306976-61-4
Catalog Number:
AG00BOC6
Molecular Formula:
C13H7FN2S
Molecular Weight:
242.2715
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Product Description
Catalog Number:
AG00BOC6
Chemical Name:
2-[cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile
CAS Number:
306976-61-4
Molecular Formula:
C13H7FN2S
Molecular Weight:
242.2715
MDL Number:
MFCD00231908
IUPAC Name:
2-[cyano(thiophen-2-yl)methyl]-6-fluorobenzonitrile
InChI:
InChI=1S/C13H7FN2S/c14-12-4-1-3-9(10(12)7-15)11(8-16)13-5-2-6-17-13/h1-6,11H
InChI Key:
NXLQXFASJWXVQZ-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1C#N)F)c1cccs1
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.031g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.271g/mol
Monoisotopic Mass:
242.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties