Home Nitriles 2-(1-cyano-1-methylethyl)-6-fluorobenzonitrile

2-(1-cyano-1-methylethyl)-6-fluorobenzonitrile

CAS No.:
1314783-56-6
Catalog Number:
AG01AFOB
Molecular Formula:
C11H9FN2
Molecular Weight:
188.2010
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Product Description
Catalog Number:
AG01AFOB
Chemical Name:
2-(1-cyano-1-methylethyl)-6-fluorobenzonitrile
CAS Number:
1314783-56-6
Molecular Formula:
C11H9FN2
Molecular Weight:
188.2010
MDL Number:
MFCD19695188
IUPAC Name:
2-(2-cyanopropan-2-yl)-6-fluorobenzonitrile
InChI:
InChI=1S/C11H9FN2/c1-11(2,7-14)9-4-3-5-10(12)8(9)6-13/h3-5H,1-2H3
InChI Key:
BHCSDUUZKSHQTL-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cccc1C(C#N)(C)C
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.205g/mol
Monoisotopic Mass:
188.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties