Home Nitriles 2-(4-tert-Butylphenyl)benzonitrile

2-(4-tert-Butylphenyl)benzonitrile

CAS No.:
192699-49-3
Catalog Number:
AG002G7H
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:
AG002G7H
Chemical Name:
2-(4-tert-Butylphenyl)benzonitrile
CAS Number:
192699-49-3
Molecular Formula:
C17H17N
Molecular Weight:
235.3236
MDL Number:
MFCD06802647
IUPAC Name:
2-(4-tert-butylphenyl)benzonitrile
InChI:
InChI=1S/C17H17N/c1-17(2,3)15-10-8-13(9-11-15)16-7-5-4-6-14(16)12-18/h4-11H,1-3H3
InChI Key:
HRZWFFZOFDLGMQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1ccc(cc1)C(C)(C)C
Properties
Complexity:
308  
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  
Properties