Home Nitriles 4-(1-cyano-1-methylethyl)-3-fluorobenzonitrile

4-(1-cyano-1-methylethyl)-3-fluorobenzonitrile

CAS No.:
1314741-25-7
Catalog Number:
AG01B1M1
Molecular Formula:
C11H9FN2
Molecular Weight:
188.2010
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Product Description
Catalog Number:
AG01B1M1
Chemical Name:
4-(1-cyano-1-methylethyl)-3-fluorobenzonitrile
CAS Number:
1314741-25-7
Molecular Formula:
C11H9FN2
Molecular Weight:
188.2010
MDL Number:
MFCD19695387
IUPAC Name:
4-(2-cyanopropan-2-yl)-3-fluorobenzonitrile
InChI:
InChI=1S/C11H9FN2/c1-11(2,7-14)9-4-3-8(6-13)5-10(9)12/h3-5H,1-2H3
InChI Key:
WBLRYJBJRCZLJF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)C(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