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Home Nitriles 4-(4-tert-Butylphenyl)benzonitrile

4-(4-tert-Butylphenyl)benzonitrile

CAS No.:
192699-51-7
Catalog Number:
AG002G7F
Molecular Formula:
C17H17N
Molecular Weight:
235.3236
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG002G7F
Chemical Name:
4-(4-tert-Butylphenyl)benzonitrile
CAS Number:
192699-51-7
Molecular Formula:
C17H17N
Molecular Weight:
235.3236
MDL Number:
MFCD06802641
IUPAC Name:
4-(4-tert-butylphenyl)benzonitrile
InChI:
InChI=1S/C17H17N/c1-17(2,3)16-10-8-15(9-11-16)14-6-4-13(12-18)5-7-14/h4-11H,1-3H3
InChI Key:
HHOGBTJTEXAETC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.136g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.33g/mol
Monoisotopic Mass:
235.136g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Bis(hetero)aryl derivatives as unique kinesin spindle protein inhibitors. Bioorganic & medicinal chemistry letters 20090215
Properties