Home Nitriles 4-tert-Butylbenzonitrile

4-tert-Butylbenzonitrile

CAS No.:
4210-32-6
Catalog Number:
AG00I86D
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$48
- +
100g
98%
In Stock USA
United States
$125
- +
500g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG00I86D
Chemical Name:
4-tert-Butylbenzonitrile
CAS Number:
4210-32-6
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD00075840
IUPAC Name:
4-tert-butylbenzonitrile
InChI:
InChI=1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
InChI Key:
IIZURLNRIMKEDL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(C)(C)C
EC Number:
224-137-2
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties