Home Nitriles 4-tert-Butoxybenzonitrile

4-tert-Butoxybenzonitrile

CAS No.:
185259-36-3
Catalog Number:
AG003M19
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$110
- +
25g
95%
In Stock USA
United States
$400
- +
100g
95%
In Stock USA
United States
$1300
- +
Product Description
Catalog Number:
AG003M19
Chemical Name:
4-tert-Butoxybenzonitrile
CAS Number:
185259-36-3
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD03425273
IUPAC Name:
4-[(2-methylpropan-2-yl)oxy]benzonitrile
InChI:
InChI=1S/C11H13NO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
InChI Key:
WLWYCCYGVDZFMS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OC(C)(C)C
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties